(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine

C15H17NO3S2 — CID 95632946

IUPAC(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H17NO3S2/c1-19-14-6-3-2-5-13(14)12-8-9-16(11-12)21(17,18)15-7-4-10-20-15/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyVFJJSTWOMYTKTE-GFCCVEGCSA-N
MW323.44 g/mol
LogP2.93
Rot. Bonds4

About (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine

(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine (PubChem CID 95632946) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
PubChem CID95632946
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H17NO3S2/c1-19-14-6-3-2-5-13(14)12-8-9-16(11-12)21(17,18)15-7-4-10-20-15/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyVFJJSTWOMYTKTE-GFCCVEGCSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
CID 96507301
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide
CID 89397295
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-thiophen-2-ylsulfonylpiperidine
CID 86264461
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855
(5aR,9aR)-4-propan-2-yl-8-thiophen-2-ylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 125182074
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
CID 60924806
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The IUPAC name of (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine (CID 95632946) is (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The canonical SMILES for (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine is COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The InChIKey is VFJJSTWOMYTKTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-14-6-3-2-5-13(14)12-8-9-16(11-12)21(17,18)15-7-4-10-20-15/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1.
What are the key properties of (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine?
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine has a molecular weight of 323.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 95632946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).