2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide

C13H24N2O2S — CID 114126114

IUPAC2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide
SMILESCCC1(CNC(=O)C(CS)NC(C)=O)CCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(6-4-5-7-13)9-14-12(17)11(8-18)15-10(2)16/h11,18H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNFZKZYAFRDVFKP-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.51
Rot. Bonds6

About 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide

2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide (PubChem CID 114126114) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide
PubChem CID114126114
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide
SMILESCCC1(CNC(=O)C(CS)NC(C)=O)CCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(6-4-5-7-13)9-14-12(17)11(8-18)15-10(2)16/h11,18H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNFZKZYAFRDVFKP-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.51
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

N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide
CID 107769857
N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 138013303
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide
CID 107769713
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 112699726
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide (CID 114126114) is 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide is CCC1(CNC(=O)C(CS)NC(C)=O)CCCC1.
What is the InChIKey of 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide?
The InChIKey is NFZKZYAFRDVFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-13(6-4-5-7-13)9-14-12(17)11(8-18)15-10(2)16/h11,18H,3-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide?
2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide has a molecular weight of 272.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 114126114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).