N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride

C5H13ClN2O2S — CID 67249206

IUPACN-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@H]1CCNC1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-5-2-3-6-4-5;/h5-7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyXGRUMZMLFKHAFW-JEDNCBNOSA-N
MW200.69 g/mol
LogP-0.68
Rot. Bonds2

About N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride

N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 67249206) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID67249206
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC NameN-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@H]1CCNC1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-5-2-3-6-4-5;/h5-7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyXGRUMZMLFKHAFW-JEDNCBNOSA-N
XLogP-0.68
TPSA58.20 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 ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride (CID 67249206) is N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)N[C@H]1CCNC1.Cl.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is XGRUMZMLFKHAFW-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-5-2-3-6-4-5;/h5-7H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 67249206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).