N-pyrrolidin-3-ylethanesulfonamide;hydrochloride

C6H15ClN2O2S — CID 66872232

IUPACN-pyrrolidin-3-ylethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-6-3-4-7-5-6;/h6-8H,2-5H2,1H3;1H
InChIKeyZSQRBEUHPOLWHR-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.29
Rot. Bonds3

About N-pyrrolidin-3-ylethanesulfonamide;hydrochloride

N-pyrrolidin-3-ylethanesulfonamide;hydrochloride (PubChem CID 66872232) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is N-pyrrolidin-3-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-ylethanesulfonamide;hydrochloride
PubChem CID66872232
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC NameN-pyrrolidin-3-ylethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-6-3-4-7-5-6;/h6-8H,2-5H2,1H3;1H
InChIKeyZSQRBEUHPOLWHR-UHFFFAOYSA-N
XLogP-0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylethanesulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-ylethanesulfonamide;hydrochloride (CID 66872232) is N-pyrrolidin-3-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-ylethanesulfonamide;hydrochloride is CCS(=O)(=O)NC1CCNC1.Cl.
What is the InChIKey of N-pyrrolidin-3-ylethanesulfonamide;hydrochloride?
The InChIKey is ZSQRBEUHPOLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-6-3-4-7-5-6;/h6-8H,2-5H2,1H3;1H.
What are the key properties of N-pyrrolidin-3-ylethanesulfonamide;hydrochloride?
N-pyrrolidin-3-ylethanesulfonamide;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 66872232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).