1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine

C8H12ClNS2 — CID 107361723

IUPAC1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1sccc1Cl
InChIInChI=1S/C8H12ClNS2/c1-11-4-3-7(10)8-6(9)2-5-12-8/h2,5,7H,3-4,10H2,1H3
InChIKeyFYQHLWMRECSRNY-UHFFFAOYSA-N
MW221.78 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine

1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 107361723) has the molecular formula C8H12ClNS2 and a molecular weight of 221.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID107361723
Molecular FormulaC8H12ClNS2
Molecular Weight221.78 g/mol
Exact Mass221.01
IUPAC Name1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1sccc1Cl
InChIInChI=1S/C8H12ClNS2/c1-11-4-3-7(10)8-6(9)2-5-12-8/h2,5,7H,3-4,10H2,1H3
InChIKeyFYQHLWMRECSRNY-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
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(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
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1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361905
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
2-(1-adamantyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 80529894
2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
CID 10521252
1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
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1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine (CID 107361723) is 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is FYQHLWMRECSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS2/c1-11-4-3-7(10)8-6(9)2-5-12-8/h2,5,7H,3-4,10H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine?
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 221.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 107361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).