N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide

C13H24N2O3S — CID 71787370

IUPACN'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide
SMILESCSCCC(C)(O)CNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(18,7-8-19-2)9-14-11(16)12(17)15-10-5-3-4-6-10/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBUDDXQSYMARWEH-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.67
Rot. Bonds6

About N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide

N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide (PubChem CID 71787370) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide
PubChem CID71787370
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide
SMILESCSCCC(C)(O)CNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3S/c1-13(18,7-8-19-2)9-14-11(16)12(17)15-10-5-3-4-6-10/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBUDDXQSYMARWEH-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide (CID 71787370) is N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide is CSCCC(C)(O)CNC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide?
The InChIKey is BUDDXQSYMARWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-13(18,7-8-19-2)9-14-11(16)12(17)15-10-5-3-4-6-10/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide?
N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide has a molecular weight of 288.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)oxamide is sourced from PubChem (CID 71787370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).