N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

C11H16N2O4S3 — CID 146210607

IUPACN-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2O4S3/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1
InChIKeyDHXYGBGECPWBAQ-SNVBAGLBSA-N
MW336.46 g/mol
LogP0.82
Rot. Bonds6

About N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210607) has the molecular formula C11H16N2O4S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210607
Molecular FormulaC11H16N2O4S3
Molecular Weight336.46 g/mol
Exact Mass336.03
IUPAC NameN-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2O4S3/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1
InChIKeyDHXYGBGECPWBAQ-SNVBAGLBSA-N
XLogP0.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210402
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
N-[[(3R)-1-[3-(hydroxyamino)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211907
2-(2-methylprop-2-enyl)-1-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
CID 120973075
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210607) is N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is DHXYGBGECPWBAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O4S3/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).