N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide

C7H13NO2S — CID 131208683

IUPACN-cyclopropyl-2-methylprop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13NO2S/c1-6(2)5-11(9,10)8-7-3-4-7/h7-8H,1,3-5H2,2H3
InChIKeyNWMXMZYRRQLRCC-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.64
Rot. Bonds4

About N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide

N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide (PubChem CID 131208683) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylprop-2-ene-1-sulfonamide
PubChem CID131208683
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-cyclopropyl-2-methylprop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13NO2S/c1-6(2)5-11(9,10)8-7-3-4-7/h7-8H,1,3-5H2,2H3
InChIKeyNWMXMZYRRQLRCC-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.64
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-cyclopropyl-2-methylprop-2-ene-1-sulfonamide?
The IUPAC name of N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide (CID 131208683) is N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide is C=C(C)CS(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide?
The InChIKey is NWMXMZYRRQLRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6(2)5-11(9,10)8-7-3-4-7/h7-8H,1,3-5H2,2H3.
What are the key properties of N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide?
N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 131208683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).