N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

C12H22N2O3S — CID 90523164

IUPACN'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-12(17,8-18-2)7-13-10(15)11(16)14-9-5-3-4-6-9/h9,17H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPBHXIIRBASOEEC-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.28
Rot. Bonds5

About N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (PubChem CID 90523164) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
PubChem CID90523164
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-12(17,8-18-2)7-13-10(15)11(16)14-9-5-3-4-6-9/h9,17H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPBHXIIRBASOEEC-UHFFFAOYSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
1-(2,3-dimethylcyclohexyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437886
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108505980
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984213
N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526259
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114163245
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (CID 90523164) is N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is CSCC(C)(O)CNC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The InChIKey is PBHXIIRBASOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(17,8-18-2)7-13-10(15)11(16)14-9-5-3-4-6-9/h9,17H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide has a molecular weight of 274.39 g/mol, XLogP of 0.28, 5 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-3-methylsulfanylpropyl)oxamide is sourced from PubChem (CID 90523164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).