1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide

C11H20N2O2S — CID 141013529

IUPAC1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)C(S)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C11H20N2O2S/c1-7(2)8(16)9(14)13-11(10(12)15)5-3-4-6-11/h7-8,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyYXJKXJVBFIBYOL-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.86
Rot. Bonds4

About 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide

1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide (PubChem CID 141013529) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide
PubChem CID141013529
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)C(S)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C11H20N2O2S/c1-7(2)8(16)9(14)13-11(10(12)15)5-3-4-6-11/h7-8,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyYXJKXJVBFIBYOL-UHFFFAOYSA-N
XLogP0.86
TPSA72.19 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 ≤ 50.86
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-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide (CID 141013529) is 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide is CC(C)C(S)C(=O)NC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide?
The InChIKey is YXJKXJVBFIBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)8(16)9(14)13-11(10(12)15)5-3-4-6-11/h7-8,16H,3-6H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide?
1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 141013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).