N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide

C8H17NO3S — CID 89004516

IUPACN-(2-methyl-4-oxohexan-3-yl)methanesulfonamide
SMILESCCC(=O)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO3S/c1-5-7(10)8(6(2)3)9-13(4,11)12/h6,8-9H,5H2,1-4H3
InChIKeyYXTZYVVJVGNAOR-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.54
Rot. Bonds5

About N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide

N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide (PubChem CID 89004516) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxohexan-3-yl)methanesulfonamide
PubChem CID89004516
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2-methyl-4-oxohexan-3-yl)methanesulfonamide
SMILESCCC(=O)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO3S/c1-5-7(10)8(6(2)3)9-13(4,11)12/h6,8-9H,5H2,1-4H3
InChIKeyYXTZYVVJVGNAOR-UHFFFAOYSA-N
XLogP0.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
N-(2-tert-butylsulfinylethyl)-2-(methanesulfonamido)-3-methylbutanamide
CID 75420687
4-(propan-2-ylamino)-5-sulfanylhexan-3-one
CID 142349976
(E)-3-methyl-N-(2-methyl-4-oxohexan-3-yl)pent-2-enamide
CID 121464223
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
(5R)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133697
(4R,5S)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133698
N-(3-hydroxypentan-2-yl)methanesulfonamide
CID 131228014
2-(cyclopropylsulfamoylamino)pentan-3-one
CID 114808587

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide (CID 89004516) is N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide is CCC(=O)C(NS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide?
The InChIKey is YXTZYVVJVGNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-5-7(10)8(6(2)3)9-13(4,11)12/h6,8-9H,5H2,1-4H3.
What are the key properties of N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide?
N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide is sourced from PubChem (CID 89004516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).