2-methyl-N-(2-methylpropyl)propane-1-sulfonamide

C8H19NO2S — CID 19021588

IUPAC2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2)5-9-12(10,11)6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyJRLIUYKDCVZKCU-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.22
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide

2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 19021588) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID19021588
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2)5-9-12(10,11)6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyJRLIUYKDCVZKCU-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (CID 19021588) is 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CNS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is JRLIUYKDCVZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(2)5-9-12(10,11)6-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
2-methyl-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 19021588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).