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

C9H13NO2S2 — CID 2240996

IUPAC1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H13NO2S2/c1-8-4-5-9(13-8)14(11,12)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3
InChIKeyVFQIQVADIZSBSO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.84
Rot. Bonds2

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

1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (PubChem CID 2240996) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
PubChem CID2240996
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H13NO2S2/c1-8-4-5-9(13-8)14(11,12)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3
InChIKeyVFQIQVADIZSBSO-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]pyrrolidine
CID 715527
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperidine
CID 718928
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
1-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine
CID 2820762
N,N-bis(thiophen-2-ylmethyl)methanesulfonamide
CID 53519530
N-cyclopropyl-N-(2-(thiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 72716879
(1R,5S)-8-((5-methylthiophen-2-yl)sulfonyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 72720096
Methyl 2-((1-((5-ethylthiophen-2-yl)sulfonyl)pyrrolidin-3-yl)thio)acetate
CID 86264304
2-[(R)-2-[(phenylsulfonyl)methyl]-1-pyrrolidinylsulfonyl]thiophene
CID 97354978
5-methyl-N-(4-(pyrrolidin-1-yl)but-2-yn-1-yl)thiophene-2-sulfonamide
CID 71792610
N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 75484819

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine (CID 2240996) is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is VFQIQVADIZSBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-8-4-5-9(13-8)14(11,12)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine?
1-(5-methylthiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 2240996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).