N-propan-2-ylprop-2-ene-1-sulfonamide

C6H13NO2S — CID 79673195

IUPACN-propan-2-ylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)C
InChIInChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyCKBPTXHFZPSOHQ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds4

About N-propan-2-ylprop-2-ene-1-sulfonamide

N-propan-2-ylprop-2-ene-1-sulfonamide (PubChem CID 79673195) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-propan-2-ylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-ylprop-2-ene-1-sulfonamide
PubChem CID79673195
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-propan-2-ylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)C
InChIInChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyCKBPTXHFZPSOHQ-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylprop-2-ene-1-sulfonamide?
The IUPAC name of N-propan-2-ylprop-2-ene-1-sulfonamide (CID 79673195) is N-propan-2-ylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-propan-2-ylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-propan-2-ylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylprop-2-ene-1-sulfonamide?
The InChIKey is CKBPTXHFZPSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-propan-2-ylprop-2-ene-1-sulfonamide?
N-propan-2-ylprop-2-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).