(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide

C9H18N2OS — CID 103797253

IUPAC(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
SMILESCSC1CCCC1NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2OS/c1-6(10)9(12)11-7-4-3-5-8(7)13-2/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6-,7?,8?/m0/s1
InChIKeyUAHMGAOXHBAYMX-KKMMWDRVSA-N
MW202.32 g/mol
LogP0.73
Rot. Bonds3

About (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide

(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide (PubChem CID 103797253) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
PubChem CID103797253
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
SMILESCSC1CCCC1NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2OS/c1-6(10)9(12)11-7-4-3-5-8(7)13-2/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6-,7?,8?/m0/s1
InChIKeyUAHMGAOXHBAYMX-KKMMWDRVSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide (CID 103797253) is (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide is CSC1CCCC1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide?
The InChIKey is UAHMGAOXHBAYMX-KKMMWDRVSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(10)9(12)11-7-4-3-5-8(7)13-2/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t6-,7?,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide?
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide is sourced from PubChem (CID 103797253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).