1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

C15H17NO3S2 — CID 2805673

IUPAC1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C15H17NO3S2/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-2-4-14(16)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3
InChIKeyOUUQNRCQRBJSHC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 2805673) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID2805673
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C15H17NO3S2/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-2-4-14(16)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3
InChIKeyOUUQNRCQRBJSHC-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4782345
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629
N-(2-cyanoethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519184
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxybenzene-1-sulfonamide
CID 16268813
N1-((1-((4-methoxyphenyl)sulfonyl)pyrrolidin-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 16829926
3-(4-Methoxy-benzenesulfonyl)-2-phenyl-thiazolidine
CID 648993
N-(2-methoxybenzyl)-N-methylthiophene-2-sulfonamide
CID 2531281
4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1256620
N-cyclopropyl-4-ethoxy-3-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 49716323
N-cyclopropyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 49716334
5-fluoro-2-methoxy-N-propyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 49716880

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (CID 2805673) is 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is COc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is OUUQNRCQRBJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-12-6-8-13(9-7-12)21(17,18)16-10-2-4-14(16)15-5-3-11-20-15/h3,5-9,11,14H,2,4,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 323.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 2805673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).