N-propylprop-2-ene-1-sulfonamide

C6H13NO2S — CID 79673088

IUPACN-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCC
InChIInChI=1S/C6H13NO2S/c1-3-5-7-10(8,9)6-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyFWAQBWCVBAAPDC-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds5

About N-propylprop-2-ene-1-sulfonamide

N-propylprop-2-ene-1-sulfonamide (PubChem CID 79673088) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-propylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-propylprop-2-ene-1-sulfonamide
PubChem CID79673088
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCC
InChIInChI=1S/C6H13NO2S/c1-3-5-7-10(8,9)6-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyFWAQBWCVBAAPDC-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-Allylmethanesulfonamide
CID 4675024
N-ethylethene-1-sulfonamide
CID 15914516
N-allylethenesulfonamide
CID 20462682
3,4-dihydro-2H-1lambda6,2-thiazine-1,1-dione
CID 58610118
(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
2-methyl-N-(prop-2-en-1-yl)propane-2-sulfonamide
CID 64592118
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
N-cyclopropylprop-2-ene-1-sulfonamide
CID 79673289
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
N-methylprop-2-ene-1-sulfonamide
CID 13691339
3,6-dihydro-2H-1lambda6,2-thiazine-1,1-dione
CID 15418401
N-methylbut-3-ene-1-sulfonamide
CID 57167241

Frequently Asked Questions

What is the IUPAC name of N-propylprop-2-ene-1-sulfonamide?
The IUPAC name of N-propylprop-2-ene-1-sulfonamide (CID 79673088) is N-propylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-propylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-propylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCC.
What is the InChIKey of N-propylprop-2-ene-1-sulfonamide?
The InChIKey is FWAQBWCVBAAPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-7-10(8,9)6-4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of N-propylprop-2-ene-1-sulfonamide?
N-propylprop-2-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).