5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide

C12H25N3O3S — CID 138485179

IUPAC5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C12H25N3O3S/c1-9(2)15-19(17,18)8-6-4-5-7-11-10(3)13-12(16)14-11/h9-11,15H,4-8H2,1-3H3,(H2,13,14,16)/t10-,11+/m0/s1
InChIKeyKHSXDHWQNLNOKU-WDEREUQCSA-N
MW291.42 g/mol
LogP0.94
Rot. Bonds8

About 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide

5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide (PubChem CID 138485179) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide
PubChem CID138485179
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C12H25N3O3S/c1-9(2)15-19(17,18)8-6-4-5-7-11-10(3)13-12(16)14-11/h9-11,15H,4-8H2,1-3H3,(H2,13,14,16)/t10-,11+/m0/s1
InChIKeyKHSXDHWQNLNOKU-WDEREUQCSA-N
XLogP0.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97308164
1-[4-(Dithiolan-3-yl)butyl]-3-methylsulfonylurea
CID 18358015
1-Pentylsulfonylimidazolidin-2-one
CID 67001812
(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one
CID 118233052
1-Methyl-3-[4-[methyl(pentan-3-yl)sulfamoyl]hexan-2-yl]urea
CID 134473441
N-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentan-2-yl]propane-2-sulfonamide
CID 138485147
N-[4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]propane-2-sulfonamide
CID 138485331
1-Cyclooctyl-3-[2-(methanesulfonamido)ethyl]urea
CID 36525429
1-Cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea
CID 38208934
1-(1,1-Dioxothiolan-3-yl)-3-heptan-2-ylurea
CID 47140087
1-(1-Propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one
CID 47372781
1-(1-Ethylsulfonylpiperidin-4-yl)imidazolidin-2-one
CID 47372782

Frequently Asked Questions

What is the IUPAC name of 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide?
The IUPAC name of 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide (CID 138485179) is 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide.
What is the SMILES notation for 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide?
The canonical SMILES for 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide is CC(C)NS(=O)(=O)CCCCC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide?
The InChIKey is KHSXDHWQNLNOKU-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9(2)15-19(17,18)8-6-4-5-7-11-10(3)13-12(16)14-11/h9-11,15H,4-8H2,1-3H3,(H2,13,14,16)/t10-,11+/m0/s1.
What are the key properties of 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide?
5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-propan-2-ylpentane-1-sulfonamide is sourced from PubChem (CID 138485179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).