3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine

C16H19NO2S2 — CID 110874340

IUPAC3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)C2)s1
InChIInChI=1S/C16H19NO2S2/c1-13-7-8-16(20-13)21(18,19)17-10-9-15(12-17)11-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyMOUSKVJFLBJYOQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.31
Rot. Bonds4

About 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine

3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (PubChem CID 110874340) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
PubChem CID110874340
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)C2)s1
InChIInChI=1S/C16H19NO2S2/c1-13-7-8-16(20-13)21(18,19)17-10-9-15(12-17)11-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyMOUSKVJFLBJYOQ-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (CID 110874340) is 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)C2)s1.
What is the InChIKey of 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is MOUSKVJFLBJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-13-7-8-16(20-13)21(18,19)17-10-9-15(12-17)11-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3.
What are the key properties of 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 321.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 110874340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).