N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide

C13H28N2O4S — CID 103824958

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C13H28N2O4S/c1-10(2)8-11(15-20(5,18)19)12(17)14-9-13(3,4)6-7-16/h10-11,15-16H,6-9H2,1-5H3,(H,14,17)
InChIKeyKCXYQUGXDMPHAB-UHFFFAOYSA-N
MW308.44 g/mol
LogP0.48
Rot. Bonds9

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 103824958) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID103824958
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C13H28N2O4S/c1-10(2)8-11(15-20(5,18)19)12(17)14-9-13(3,4)6-7-16/h10-11,15-16H,6-9H2,1-5H3,(H,14,17)
InChIKeyKCXYQUGXDMPHAB-UHFFFAOYSA-N
XLogP0.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 103840129
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
CID 10781140
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide (CID 103824958) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is KCXYQUGXDMPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-10(2)8-11(15-20(5,18)19)12(17)14-9-13(3,4)6-7-16/h10-11,15-16H,6-9H2,1-5H3,(H,14,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 308.44 g/mol, XLogP of 0.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 103824958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).