N-(5-methylhexyl)propane-2-sulfonamide

C10H23NO2S — CID 79002824

IUPACN-(5-methylhexyl)propane-2-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)7-5-6-8-11-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyZEDXGQFGKYUMGT-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.14
Rot. Bonds7

About N-(5-methylhexyl)propane-2-sulfonamide

N-(5-methylhexyl)propane-2-sulfonamide (PubChem CID 79002824) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(5-methylhexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)propane-2-sulfonamide
PubChem CID79002824
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(5-methylhexyl)propane-2-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)7-5-6-8-11-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyZEDXGQFGKYUMGT-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-(5-methylhexyl)propane-2-sulfonamide?
The IUPAC name of N-(5-methylhexyl)propane-2-sulfonamide (CID 79002824) is N-(5-methylhexyl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)propane-2-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)propane-2-sulfonamide is CC(C)CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-(5-methylhexyl)propane-2-sulfonamide?
The InChIKey is ZEDXGQFGKYUMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)7-5-6-8-11-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(5-methylhexyl)propane-2-sulfonamide?
N-(5-methylhexyl)propane-2-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)propane-2-sulfonamide is sourced from PubChem (CID 79002824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).