2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

C15H21NO2S — CID 110871848

IUPAC2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCCC2C2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-12-4-2-5-13(10-12)11-19(17,18)16-9-3-6-15(16)14-7-8-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3
InChIKeyLJMZIYVZDHDFFS-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.70
Rot. Bonds4

About 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine

2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (PubChem CID 110871848) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
PubChem CID110871848
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1cccc(CS(=O)(=O)N2CCCC2C2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-12-4-2-5-13(10-12)11-19(17,18)16-9-3-6-15(16)14-7-8-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3
InChIKeyLJMZIYVZDHDFFS-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871849
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
2-cyclopropyl-1-[(2-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871847
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
(3S,8R)-14-methyl-9-[(3-methylphenyl)methylsulfonyl]-2-oxa-9,14-diazatricyclo[14.4.0.03,8]icosa-1(20),16,18-trien-15-one
CID 110062955
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
(3R)-3-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 124619149
cyclopropyl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110797103

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine (CID 110871848) is 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine is Cc1cccc(CS(=O)(=O)N2CCCC2C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
The InChIKey is LJMZIYVZDHDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-4-2-5-13(10-12)11-19(17,18)16-9-3-6-15(16)14-7-8-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine?
2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine has a molecular weight of 279.40 g/mol, XLogP of 2.70, 4 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)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 110871848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).