N-propan-2-ylpropane-1-sulfonamide

C6H15NO2S — CID 21043968

IUPACN-propan-2-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDGXPHZLDDBEVBM-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.72
Rot. Bonds4

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

N-propan-2-ylpropane-1-sulfonamide (PubChem CID 21043968) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-ylpropane-1-sulfonamide
PubChem CID21043968
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-propan-2-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDGXPHZLDDBEVBM-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-propan-2-ylpropane-1-sulfonamide (CID 21043968) is N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-propan-2-ylpropane-1-sulfonamide is CCCS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is DGXPHZLDDBEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-5-10(8,9)7-6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-propan-2-ylpropane-1-sulfonamide?
N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 21043968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).