N-(5-methylhexan-2-yl)methanesulfonamide

C8H19NO2S — CID 60681192

IUPACN-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-7(2)5-6-8(3)9-12(4,10)11/h7-9H,5-6H2,1-4H3
InChIKeyZGDHAYPUPZFXQR-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds5

About N-(5-methylhexan-2-yl)methanesulfonamide

N-(5-methylhexan-2-yl)methanesulfonamide (PubChem CID 60681192) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)methanesulfonamide
PubChem CID60681192
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-7(2)5-6-8(3)9-12(4,10)11/h7-9H,5-6H2,1-4H3
InChIKeyZGDHAYPUPZFXQR-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)methanesulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)methanesulfonamide (CID 60681192) is N-(5-methylhexan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)methanesulfonamide is CC(C)CCC(C)NS(C)(=O)=O.
What is the InChIKey of N-(5-methylhexan-2-yl)methanesulfonamide?
The InChIKey is ZGDHAYPUPZFXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(2)5-6-8(3)9-12(4,10)11/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(5-methylhexan-2-yl)methanesulfonamide?
N-(5-methylhexan-2-yl)methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 60681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).