2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide

C11H20N2O2S — CID 107769536

IUPAC2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC1CCCC1C
InChIInChI=1S/C11H20N2O2S/c1-7-4-3-5-9(7)13-11(15)10(6-16)12-8(2)14/h7,9-10,16H,3-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyLJCUOEZPTVZXMX-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.73
Rot. Bonds4

About 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide

2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide (PubChem CID 107769536) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide
PubChem CID107769536
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC1CCCC1C
InChIInChI=1S/C11H20N2O2S/c1-7-4-3-5-9(7)13-11(15)10(6-16)12-8(2)14/h7,9-10,16H,3-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyLJCUOEZPTVZXMX-UHFFFAOYSA-N
XLogP0.73
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(2,3-dimethylcyclohexyl)-3-sulfanylpropanamide
CID 107769000
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
2-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107769746
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
3-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62853775
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide (CID 107769536) is 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC1CCCC1C.
What is the InChIKey of 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide?
The InChIKey is LJCUOEZPTVZXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7-4-3-5-9(7)13-11(15)10(6-16)12-8(2)14/h7,9-10,16H,3-6H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide?
2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide has a molecular weight of 244.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).