N-[(2S)-4-methylpentan-2-yl]methanesulfonamide

C7H17NO2S — CID 166767109

IUPACN-[(2S)-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6(2)5-7(3)8-11(4,9)10/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyAGRBXVIFFLISOS-ZETCQYMHSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About N-[(2S)-4-methylpentan-2-yl]methanesulfonamide

N-[(2S)-4-methylpentan-2-yl]methanesulfonamide (PubChem CID 166767109) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-[(2S)-4-methylpentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-methylpentan-2-yl]methanesulfonamide
PubChem CID166767109
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-[(2S)-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@H](C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-6(2)5-7(3)8-11(4,9)10/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyAGRBXVIFFLISOS-ZETCQYMHSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-(2,4-dimethylpentan-3-yl)methanesulfonamide
CID 1280652
N-(6-methylheptan-2-yl)methanesulfonamide
CID 2916151
N-(4-methylpentyl)methanesulfonamide
CID 3330230
N-(3-methylbutyl)methanesulfonamide
CID 3906059
N-pentan-2-ylmethanesulfonamide
CID 4469405
N-(4-methylpentan-2-yl)methanesulfonamide
CID 23198459
N-(2-ethylcyclopropyl)methanesulfonamide
CID 56978398
N-[(2R)-4-methylpentan-2-yl]methanesulfonamide
CID 57846726
N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
CID 58468877

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylpentan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-4-methylpentan-2-yl]methanesulfonamide (CID 166767109) is N-[(2S)-4-methylpentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-4-methylpentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-4-methylpentan-2-yl]methanesulfonamide is CC(C)C[C@H](C)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-4-methylpentan-2-yl]methanesulfonamide?
The InChIKey is AGRBXVIFFLISOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(2)5-7(3)8-11(4,9)10/h6-8H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of N-[(2S)-4-methylpentan-2-yl]methanesulfonamide?
N-[(2S)-4-methylpentan-2-yl]methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylpentan-2-yl]methanesulfonamide is sourced from PubChem (CID 166767109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).