N-(5-methylhexyl)methanesulfonamide

C8H19NO2S — CID 58970685

IUPACN-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyXTQWLRURNANOGQ-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds6

About N-(5-methylhexyl)methanesulfonamide

N-(5-methylhexyl)methanesulfonamide (PubChem CID 58970685) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(5-methylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)methanesulfonamide
PubChem CID58970685
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyXTQWLRURNANOGQ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methylheptylsulfamic acid
CID 87283481
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(7-methyloctyl)guanidine;hydroiodide
CID 111204891
2-(5-methylhexylsulfamoyl)propanoic acid
CID 115325022
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-(5-bromo-4-methylpentyl)methanesulfonamide
CID 106158701
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
2-(5-methylhexylsulfamoyl)propanethioamide
CID 115325716
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(3-aminopropyl)methanesulfonamide
CID 18350602

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)methanesulfonamide?
The IUPAC name of N-(5-methylhexyl)methanesulfonamide (CID 58970685) is N-(5-methylhexyl)methanesulfonamide.
What is the SMILES notation for N-(5-methylhexyl)methanesulfonamide?
The canonical SMILES for N-(5-methylhexyl)methanesulfonamide is CC(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methylhexyl)methanesulfonamide?
The InChIKey is XTQWLRURNANOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(5-methylhexyl)methanesulfonamide?
N-(5-methylhexyl)methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)methanesulfonamide is sourced from PubChem (CID 58970685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).