3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine

C8H12ClNS2 — CID 117032666

IUPAC3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNS2/c1-6(4-5-10)11-8-3-2-7(9)12-8/h2-3,6H,4-5,10H2,1H3
InChIKeyBQTFCEWCORCWTR-UHFFFAOYSA-N
MW221.78 g/mol
LogP3.23
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine

3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine (PubChem CID 117032666) has the molecular formula C8H12ClNS2 and a molecular weight of 221.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
PubChem CID117032666
Molecular FormulaC8H12ClNS2
Molecular Weight221.78 g/mol
Exact Mass221.01
IUPAC Name3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNS2/c1-6(4-5-10)11-8-3-2-7(9)12-8/h2-3,6H,4-5,10H2,1H3
InChIKeyBQTFCEWCORCWTR-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)sulfanylbutan-1-amine
CID 60914334
3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine
CID 117036257
methyl 2-(5-chlorothiophen-2-yl)sulfanylbutanoate
CID 117035553
S-(5-chlorothiophen-2-yl)thiohydroxylamine
CID 88928706
2-chloro-5-ethylsulfanylthiophene
CID 55269590
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
2-chloro-5-(ethyldisulfanyl)thiophene
CID 91117303
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
(3S)-3-methylsulfanylbutan-1-amine
CID 51892089
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine (CID 117032666) is 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine is CC(CCN)Sc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine?
The InChIKey is BQTFCEWCORCWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS2/c1-6(4-5-10)11-8-3-2-7(9)12-8/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine?
3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine has a molecular weight of 221.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 117032666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).