(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide

C6H12N2O2S — CID 10751066

IUPAC(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide
SMILESNS(=O)(=O)/C=C/[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)5-3-6-2-1-4-8-6/h3,5-6,8H,1-2,4H2,(H2,7,9,10)/b5-3+/t6-/m0/s1
InChIKeyHMQQYIMIHRMAGU-QVQDZQDPSA-N
MW176.24 g/mol
LogP-0.46
Rot. Bonds2

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

(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide (PubChem CID 10751066) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide
PubChem CID10751066
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide
SMILESNS(=O)(=O)/C=C/[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)5-3-6-2-1-4-8-6/h3,5-6,8H,1-2,4H2,(H2,7,9,10)/b5-3+/t6-/m0/s1
InChIKeyHMQQYIMIHRMAGU-QVQDZQDPSA-N
XLogP-0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide?
The IUPAC name of (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide (CID 10751066) is (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide is NS(=O)(=O)/C=C/[C@@H]1CCCN1.
What is the InChIKey of (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide?
The InChIKey is HMQQYIMIHRMAGU-QVQDZQDPSA-N. The full InChI is InChI=1S/C6H12N2O2S/c7-11(9,10)5-3-6-2-1-4-8-6/h3,5-6,8H,1-2,4H2,(H2,7,9,10)/b5-3+/t6-/m0/s1.
What are the key properties of (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide?
(E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide has a molecular weight of 176.24 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2S)-pyrrolidin-2-yl]ethenesulfonamide is sourced from PubChem (CID 10751066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).