N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide

C13H29N3O4S — CID 103840129

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H29N3O4S/c1-10(2)7-11(15-21(6,19)20)12(17)14-8-13(3,18)9-16(4)5/h10-11,15,18H,7-9H2,1-6H3,(H,14,17)
InChIKeyOYRRLNKOHLVAFN-UHFFFAOYSA-N
MW323.46 g/mol
LogP-0.62
Rot. Bonds9

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 103840129) has the molecular formula C13H29N3O4S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID103840129
Molecular FormulaC13H29N3O4S
Molecular Weight323.46 g/mol
Exact Mass323.19
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H29N3O4S/c1-10(2)7-11(15-21(6,19)20)12(17)14-8-13(3,18)9-16(4)5/h10-11,15,18H,7-9H2,1-6H3,(H,14,17)
InChIKeyOYRRLNKOHLVAFN-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
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
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
CID 86641981
2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
CID 103839615
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide (CID 103840129) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is OYRRLNKOHLVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4S/c1-10(2)7-11(15-21(6,19)20)12(17)14-8-13(3,18)9-16(4)5/h10-11,15,18H,7-9H2,1-6H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 323.46 g/mol, XLogP of -0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 103840129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).