2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine

C14H19NO2S — CID 110871844

IUPAC2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cccc(S(=O)(=O)N2CCCC2C2CC2)c1
InChIInChI=1S/C14H19NO2S/c1-11-4-2-5-13(10-11)18(16,17)15-9-3-6-14(15)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3
InChIKeyDVORZIOKVFDJBA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine

2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine (PubChem CID 110871844) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
PubChem CID110871844
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cccc(S(=O)(=O)N2CCCC2C2CC2)c1
InChIInChI=1S/C14H19NO2S/c1-11-4-2-5-13(10-11)18(16,17)15-9-3-6-14(15)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3
InChIKeyDVORZIOKVFDJBA-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol
CID 79539682
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871848
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110395032
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-methylaniline
CID 65319145

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine (CID 110871844) is 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine is Cc1cccc(S(=O)(=O)N2CCCC2C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The InChIKey is DVORZIOKVFDJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-4-2-5-13(10-11)18(16,17)15-9-3-6-14(15)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine?
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine has a molecular weight of 265.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110871844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).