N-methyl-N-propan-2-ylpropane-2-sulfonamide

C7H17NO2S — CID 18343509

IUPACN-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-6(2)8(5)11(9,10)7(3)4/h6-7H,1-5H3
InChIKeyFTPVVASXYSIUGQ-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.06
Rot. Bonds3

About N-methyl-N-propan-2-ylpropane-2-sulfonamide

N-methyl-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 18343509) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylpropane-2-sulfonamide
PubChem CID18343509
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-6(2)8(5)11(9,10)7(3)4/h6-7H,1-5H3
InChIKeyFTPVVASXYSIUGQ-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of N-methyl-N-propan-2-ylpropane-2-sulfonamide (CID 18343509) is N-methyl-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-methyl-N-propan-2-ylpropane-2-sulfonamide is CC(C)N(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is FTPVVASXYSIUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(2)8(5)11(9,10)7(3)4/h6-7H,1-5H3.
What are the key properties of N-methyl-N-propan-2-ylpropane-2-sulfonamide?
N-methyl-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 18343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).