2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine

C15H21NO2S — CID 110871849

IUPAC2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1ccc(CS(=O)(=O)N2CCCC2C2CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-4-6-13(7-5-12)11-19(17,18)16-10-2-3-15(16)14-8-9-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyMOODGNVXEMIQOR-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.70
Rot. Bonds4

About 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine

2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine (PubChem CID 110871849) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
PubChem CID110871849
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
SMILESCc1ccc(CS(=O)(=O)N2CCCC2C2CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-4-6-13(7-5-12)11-19(17,18)16-10-2-3-15(16)14-8-9-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyMOODGNVXEMIQOR-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

Analyze 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871848
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
4-[(4-methylphenyl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314596
2-cyclopropyl-1-[(2-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871847
[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]phosphonic acid
CID 20718903
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
1-benzylsulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680755

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine (CID 110871849) is 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine is Cc1ccc(CS(=O)(=O)N2CCCC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine?
The InChIKey is MOODGNVXEMIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-4-6-13(7-5-12)11-19(17,18)16-10-2-3-15(16)14-8-9-14/h4-7,14-15H,2-3,8-11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine?
2-cyclopropyl-1-[(4-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-[(4-methylphenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 110871849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).