1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide

C12H22N2O2S — CID 141013534

IUPAC1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)CC(S)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C12H22N2O2S/c1-8(2)7-9(17)10(15)14-12(11(13)16)5-3-4-6-12/h8-9,17H,3-7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyNPERAZPLUYBJBA-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.25
Rot. Bonds5

About 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide

1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide (PubChem CID 141013534) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide
PubChem CID141013534
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)CC(S)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C12H22N2O2S/c1-8(2)7-9(17)10(15)14-12(11(13)16)5-3-4-6-12/h8-9,17H,3-7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyNPERAZPLUYBJBA-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide (CID 141013534) is 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide is CC(C)CC(S)C(=O)NC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide?
The InChIKey is NPERAZPLUYBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8(2)7-9(17)10(15)14-12(11(13)16)5-3-4-6-12/h8-9,17H,3-7H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide?
1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 141013534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).