(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide

C10H18N2O2S — CID 7398190

IUPAC(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)SC1CCCC1
InChIInChI=1S/C10H18N2O2S/c1-7(9(13)12-10(14)11-2)15-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1
InChIKeyPGXJYIKXRDDILR-ZETCQYMHSA-N
MW230.33 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide

(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 7398190) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID7398190
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)SC1CCCC1
InChIInChI=1S/C10H18N2O2S/c1-7(9(13)12-10(14)11-2)15-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1
InChIKeyPGXJYIKXRDDILR-ZETCQYMHSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide (CID 7398190) is (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)SC1CCCC1.
What is the InChIKey of (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is PGXJYIKXRDDILR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(9(13)12-10(14)11-2)15-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide?
(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 230.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7398190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).