2-methyl-N-(4-methylpentyl)propane-1-sulfonamide

C10H23NO2S — CID 88571247

IUPAC2-methyl-N-(4-methylpentyl)propane-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)CC(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)6-5-7-11-14(12,13)8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyMTYGFZMXYHHNHT-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.00
Rot. Bonds7

About 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide

2-methyl-N-(4-methylpentyl)propane-1-sulfonamide (PubChem CID 88571247) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpentyl)propane-1-sulfonamide
PubChem CID88571247
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-methyl-N-(4-methylpentyl)propane-1-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)CC(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)6-5-7-11-14(12,13)8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyMTYGFZMXYHHNHT-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.00
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 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide (CID 88571247) is 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide is CC(C)CCCNS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide?
The InChIKey is MTYGFZMXYHHNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)6-5-7-11-14(12,13)8-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide?
2-methyl-N-(4-methylpentyl)propane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpentyl)propane-1-sulfonamide is sourced from PubChem (CID 88571247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).