(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride

C8H15ClN2S — CID 141264531

IUPAC(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1c[nH]c(SC)c1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-3-7(9)6-4-8(11-2)10-5-6;/h4-5,7,10H,3,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeySEOGUSXZPKJWBH-FJXQXJEOSA-N
MW206.74 g/mol
LogP2.57
Rot. Bonds3

About (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride

(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride (PubChem CID 141264531) has the molecular formula C8H15ClN2S and a molecular weight of 206.74 g/mol. Its IUPAC name is (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride
PubChem CID141264531
Molecular FormulaC8H15ClN2S
Molecular Weight206.74 g/mol
Exact Mass206.06
IUPAC Name(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1c[nH]c(SC)c1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-3-7(9)6-4-8(11-2)10-5-6;/h4-5,7,10H,3,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeySEOGUSXZPKJWBH-FJXQXJEOSA-N
XLogP2.57
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminopropyl)-1H-pyrrol-2-amine
CID 130002522
5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
CID 102544993
(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine
CID 141264529
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(5-fluorothiophen-3-yl)propan-1-amine
CID 130000553
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride (CID 141264531) is (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1c[nH]c(SC)c1.Cl.
What is the InChIKey of (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is SEOGUSXZPKJWBH-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H14N2S.ClH/c1-3-7(9)6-4-8(11-2)10-5-6;/h4-5,7,10H,3,9H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride?
(1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 206.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methylsulfanyl-1H-pyrrol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 141264531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).