pyrrolidin-3-ylmethanesulfonamide;hydrochloride

C5H13ClN2O2S — CID 68902073

IUPACpyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CC1CCNC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-10(8,9)4-5-1-2-7-3-5;/h5,7H,1-4H2,(H2,6,8,9);1H
InChIKeyYWZVKNUBLNQNOZ-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.69
Rot. Bonds2

About pyrrolidin-3-ylmethanesulfonamide;hydrochloride

pyrrolidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 68902073) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is pyrrolidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID68902073
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Namepyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CC1CCNC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-10(8,9)4-5-1-2-7-3-5;/h5,7H,1-4H2,(H2,6,8,9);1H
InChIKeyYWZVKNUBLNQNOZ-UHFFFAOYSA-N
XLogP-0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of pyrrolidin-3-ylmethanesulfonamide;hydrochloride (CID 68902073) is pyrrolidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for pyrrolidin-3-ylmethanesulfonamide;hydrochloride is Cl.NS(=O)(=O)CC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is YWZVKNUBLNQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c6-10(8,9)4-5-1-2-7-3-5;/h5,7H,1-4H2,(H2,6,8,9);1H.
What are the key properties of pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
pyrrolidin-3-ylmethanesulfonamide;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 68902073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).