N-(5-methylhexan-2-yl)propane-2-sulfonamide

C10H23NO2S — CID 61361229

IUPACN-(5-methylhexan-2-yl)propane-2-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMMKWETFHEGDTBH-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.14
Rot. Bonds6

About N-(5-methylhexan-2-yl)propane-2-sulfonamide

N-(5-methylhexan-2-yl)propane-2-sulfonamide (PubChem CID 61361229) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)propane-2-sulfonamide
PubChem CID61361229
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(5-methylhexan-2-yl)propane-2-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMMKWETFHEGDTBH-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)propane-2-sulfonamide (CID 61361229) is N-(5-methylhexan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)propane-2-sulfonamide is CC(C)CCC(C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)propane-2-sulfonamide?
The InChIKey is MMKWETFHEGDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of N-(5-methylhexan-2-yl)propane-2-sulfonamide?
N-(5-methylhexan-2-yl)propane-2-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.14, 6 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)propane-2-sulfonamide is sourced from PubChem (CID 61361229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).