(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride

C6H13ClN2O2S — CID 10751065

IUPAC(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride
SMILESNS(=O)(=O)/C=C/[C@@H]1CCC[NH2+]1.[Cl-]
InChIInChI=1S/C6H12N2O2S.ClH/c7-11(9,10)5-3-6-2-1-4-8-6;/h3,5-6,8H,1-2,4H2,(H2,7,9,10);1H/b5-3+;/t6-;/m0./s1
InChIKeyFIUMMYDOFCKCFA-ZQAVFENZSA-N
MW212.70 g/mol
LogP-4.48
Rot. Bonds2

About (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride

(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride (PubChem CID 10751065) has the molecular formula C6H13ClN2O2S and a molecular weight of 212.70 g/mol. Its IUPAC name is (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride.

Molecular Properties

Compound Name(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride
PubChem CID10751065
Molecular FormulaC6H13ClN2O2S
Molecular Weight212.70 g/mol
Exact Mass212.04
IUPAC Name(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride
SMILESNS(=O)(=O)/C=C/[C@@H]1CCC[NH2+]1.[Cl-]
InChIInChI=1S/C6H12N2O2S.ClH/c7-11(9,10)5-3-6-2-1-4-8-6;/h3,5-6,8H,1-2,4H2,(H2,7,9,10);1H/b5-3+;/t6-;/m0./s1
InChIKeyFIUMMYDOFCKCFA-ZQAVFENZSA-N
XLogP-4.48
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 5-4.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride?
The IUPAC name of (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride (CID 10751065) is (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride.
What is the SMILES notation for (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride?
The canonical SMILES for (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride is NS(=O)(=O)/C=C/[C@@H]1CCC[NH2+]1.[Cl-].
What is the InChIKey of (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride?
The InChIKey is FIUMMYDOFCKCFA-ZQAVFENZSA-N. The full InChI is InChI=1S/C6H12N2O2S.ClH/c7-11(9,10)5-3-6-2-1-4-8-6;/h3,5-6,8H,1-2,4H2,(H2,7,9,10);1H/b5-3+;/t6-;/m0./s1.
What are the key properties of (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride?
(E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride has a molecular weight of 212.70 g/mol, XLogP of -4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethenesulfonamide chloride is sourced from PubChem (CID 10751065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).