(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine

C8H14N2S — CID 141264529

IUPAC(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SC)[nH]1
InChIInChI=1S/C8H14N2S/c1-3-6(9)7-4-5-8(10-7)11-2/h4-6,10H,3,9H2,1-2H3/t6-/m0/s1
InChIKeyGZGDZTQASIMZKM-LURJTMIESA-N
MW170.28 g/mol
LogP2.15
Rot. Bonds3

About (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine

(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine (PubChem CID 141264529) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine
PubChem CID141264529
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SC)[nH]1
InChIInChI=1S/C8H14N2S/c1-3-6(9)7-4-5-8(10-7)11-2/h4-6,10H,3,9H2,1-2H3/t6-/m0/s1
InChIKeyGZGDZTQASIMZKM-LURJTMIESA-N
XLogP2.15
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine (CID 141264529) is (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine is CC[C@H](N)c1ccc(SC)[nH]1.
What is the InChIKey of (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is GZGDZTQASIMZKM-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-6(9)7-4-5-8(10-7)11-2/h4-6,10H,3,9H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine?
(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 2.15, 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-2-yl)propan-1-amine is sourced from PubChem (CID 141264529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).