N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide

C10H20N2O2S — CID 79673607

IUPACN-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCC)C1CCNC1
InChIInChI=1S/C10H20N2O2S/c1-3-7-12(10-5-6-11-9-10)15(13,14)8-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyQIDUIONVWVIPBG-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.58
Rot. Bonds6

About N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide

N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide (PubChem CID 79673607) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
PubChem CID79673607
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCC)C1CCNC1
InChIInChI=1S/C10H20N2O2S/c1-3-7-12(10-5-6-11-9-10)15(13,14)8-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyQIDUIONVWVIPBG-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119976345
N-[cyclohexyl(methyl)sulfamoyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119976327
3-[2-methoxyethylsulfamoyl(propyl)amino]pyrrolidine
CID 114814259
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
CID 63300934

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide (CID 79673607) is N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CCC)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide?
The InChIKey is QIDUIONVWVIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-7-12(10-5-6-11-9-10)15(13,14)8-4-2/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide?
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).