2-(methanesulfonamido)-N,4-dimethylpentanamide

C8H18N2O3S — CID 13443889

IUPAC2-(methanesulfonamido)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-6(2)5-7(8(11)9-3)10-14(4,12)13/h6-7,10H,5H2,1-4H3,(H,9,11)
InChIKeyUKYSKVOZBIKACF-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.30
Rot. Bonds5

About 2-(methanesulfonamido)-N,4-dimethylpentanamide

2-(methanesulfonamido)-N,4-dimethylpentanamide (PubChem CID 13443889) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N,4-dimethylpentanamide
PubChem CID13443889
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(methanesulfonamido)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-6(2)5-7(8(11)9-3)10-14(4,12)13/h6-7,10H,5H2,1-4H3,(H,9,11)
InChIKeyUKYSKVOZBIKACF-UHFFFAOYSA-N
XLogP-0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
(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
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
(2S)-N,4-dimethyl-2-[(3,3,3-trifluoro-2,2-dimethylpropyl)sulfonylamino]pentanamide
CID 166281932

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N,4-dimethylpentanamide?
The IUPAC name of 2-(methanesulfonamido)-N,4-dimethylpentanamide (CID 13443889) is 2-(methanesulfonamido)-N,4-dimethylpentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N,4-dimethylpentanamide?
The canonical SMILES for 2-(methanesulfonamido)-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-N,4-dimethylpentanamide?
The InChIKey is UKYSKVOZBIKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-6(2)5-7(8(11)9-3)10-14(4,12)13/h6-7,10H,5H2,1-4H3,(H,9,11).
What are the key properties of 2-(methanesulfonamido)-N,4-dimethylpentanamide?
2-(methanesulfonamido)-N,4-dimethylpentanamide has a molecular weight of 222.31 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N,4-dimethylpentanamide is sourced from PubChem (CID 13443889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).