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MFCD08444384 molecular structure
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[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine

ChemBase ID: 252540
Molecular Formular: C9H14N2O2S2
Molecular Mass: 246.34966
Monoisotopic Mass: 246.0496697
SMILES and InChIs

SMILES:
S(=O)(=O)(c1sc(cc1)CN)N1CCCC1
Canonical SMILES:
NCc1ccc(s1)S(=O)(=O)N1CCCC1
InChI:
InChI=1S/C9H14N2O2S2/c10-7-8-3-4-9(14-8)15(12,13)11-5-1-2-6-11/h3-4H,1-2,5-7,10H2
InChIKey:
ZPPACDSJUUHERA-UHFFFAOYSA-N

Cite this record

CBID:252540 http://www.chembase.cn/molecule-252540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine
IUPAC Traditional name
[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine
Synonyms
[5-(pyrrolidin-1-ylsulfonyl)thien-2-yl]methylamine
MDL Number
MFCD08444384
PubChem SID
164308450
PubChem CID
16227278

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-25481 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227278 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7438668  LogD (pH = 7.4) -0.04958126 
Log P 0.63707197  Molar Refractivity 60.0735 cm3
Polarizability 24.344458 Å3 Polar Surface Area 63.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.644 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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