2-methyl-N-propylpropane-2-sulfonamide

C7H17NO2S — CID 22364465

IUPAC2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-8-11(9,10)7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyUHJSCAISWCWDBF-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds3

About 2-methyl-N-propylpropane-2-sulfonamide

2-methyl-N-propylpropane-2-sulfonamide (PubChem CID 22364465) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-methyl-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-propylpropane-2-sulfonamide
PubChem CID22364465
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-methyl-N-propylpropane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-8-11(9,10)7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyUHJSCAISWCWDBF-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methylpropane-2-sulfonamide
CID 57911016
Dimethyl-3-ammoniopropanesulfonate
CID 18424890
Propyl ammonium propane sulfonate
CID 18920642
n-butyl-N-n-propylsulfonamide
CID 19681138
2-Amino-N-butylethanesulfonamide
CID 21458645
N,2-Dimethyl-2-propanesulfonamide
CID 21703065
2-methyl-N-propylpropane-2-sulfinamide
CID 86229710
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
CID 118423364
N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide
CID 118423464
N-(2-fluoroethyl)-2-methylpropane-2-sulfonamide
CID 118423494
N-ethyl-3-fluoropentane-3-sulfonamide
CID 169979864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-propylpropane-2-sulfonamide (CID 22364465) is 2-methyl-N-propylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-propylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-propylpropane-2-sulfonamide is CCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-propylpropane-2-sulfonamide?
The InChIKey is UHJSCAISWCWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6-8-11(9,10)7(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-propylpropane-2-sulfonamide?
2-methyl-N-propylpropane-2-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylpropane-2-sulfonamide is sourced from PubChem (CID 22364465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).