2-methyl-N-propan-2-ylpropane-1-sulfonamide

C7H17NO2S — CID 59661278

IUPAC2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)C
InChIInChI=1S/C7H17NO2S/c1-6(2)5-11(9,10)8-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIQLKFORDNJDZIH-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About 2-methyl-N-propan-2-ylpropane-1-sulfonamide

2-methyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 59661278) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID59661278
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)C
InChIInChI=1S/C7H17NO2S/c1-6(2)5-11(9,10)8-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIQLKFORDNJDZIH-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 2-methyl-N-propan-2-ylpropane-1-sulfonamide (CID 59661278) is 2-methyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-propan-2-ylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is IQLKFORDNJDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(2)5-11(9,10)8-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-ylpropane-1-sulfonamide?
2-methyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 59661278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).