(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine

C16H19NO3S2 — CID 94919570

IUPAC(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-3-8-16(21-12)22(18,19)17-10-9-14(11-17)13-4-6-15(20-2)7-5-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyNWBGVEXDDNKEJX-AWEZNQCLSA-N
MW337.47 g/mol
LogP3.24
Rot. Bonds4

About (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine

(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (PubChem CID 94919570) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
PubChem CID94919570
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-3-8-16(21-12)22(18,19)17-10-9-14(11-17)13-4-6-15(20-2)7-5-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyNWBGVEXDDNKEJX-AWEZNQCLSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
CID 121084286
1-(5-bromothiophen-2-yl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147281
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
(7-methoxynaphthalen-2-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 46523653
methyl 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 47091704
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (CID 94919570) is (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is NWBGVEXDDNKEJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12-3-8-16(21-12)22(18,19)17-10-9-14(11-17)13-4-6-15(20-2)7-5-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 337.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 94919570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).