N-propyl-N-pyrrolidin-3-ylethanesulfonamide

C9H20N2O2S — CID 60805146

IUPACN-propyl-N-pyrrolidin-3-ylethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CC
InChIInChI=1S/C9H20N2O2S/c1-3-7-11(14(12,13)4-2)9-5-6-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyHFQNCKBAJOQAKL-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds5

About N-propyl-N-pyrrolidin-3-ylethanesulfonamide

N-propyl-N-pyrrolidin-3-ylethanesulfonamide (PubChem CID 60805146) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-ylethanesulfonamide
PubChem CID60805146
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-propyl-N-pyrrolidin-3-ylethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CC
InChIInChI=1S/C9H20N2O2S/c1-3-7-11(14(12,13)4-2)9-5-6-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyHFQNCKBAJOQAKL-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
CID 79673607
1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119976345
N-[cyclohexyl(methyl)sulfamoyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119976327
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
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
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-ylethanesulfonamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-ylethanesulfonamide (CID 60805146) is N-propyl-N-pyrrolidin-3-ylethanesulfonamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-ylethanesulfonamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-ylethanesulfonamide is CCCN(C1CCNC1)S(=O)(=O)CC.
What is the InChIKey of N-propyl-N-pyrrolidin-3-ylethanesulfonamide?
The InChIKey is HFQNCKBAJOQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-7-11(14(12,13)4-2)9-5-6-10-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-propyl-N-pyrrolidin-3-ylethanesulfonamide?
N-propyl-N-pyrrolidin-3-ylethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.41, 5 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-ylethanesulfonamide is sourced from PubChem (CID 60805146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).