N-(4-methylpentyl)methanesulfonamide

C7H17NO2S — CID 3330230

IUPACN-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)5-4-6-8-11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyRXHYOLUFHIGPDN-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds5

About N-(4-methylpentyl)methanesulfonamide

N-(4-methylpentyl)methanesulfonamide (PubChem CID 3330230) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylpentyl)methanesulfonamide
PubChem CID3330230
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-7(2)5-4-6-8-11(3,9)10/h7-8H,4-6H2,1-3H3
InChIKeyRXHYOLUFHIGPDN-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)methanesulfonamide?
The IUPAC name of N-(4-methylpentyl)methanesulfonamide (CID 3330230) is N-(4-methylpentyl)methanesulfonamide.
What is the SMILES notation for N-(4-methylpentyl)methanesulfonamide?
The canonical SMILES for N-(4-methylpentyl)methanesulfonamide is CC(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-(4-methylpentyl)methanesulfonamide?
The InChIKey is RXHYOLUFHIGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)5-4-6-8-11(3,9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(4-methylpentyl)methanesulfonamide?
N-(4-methylpentyl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 3330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).