1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine

C18H27NO3S — CID 71997745

IUPAC1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine
SMILESO=S(=O)(CC1CCOCC1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C18H27NO3S/c20-23(21,15-17-10-13-22-14-11-17)19-12-4-7-18(19)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2
InChIKeySURTVSXZJGDEOR-UHFFFAOYSA-N
MW337.48 g/mol
LogP2.84
Rot. Bonds6

About 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine

1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine (PubChem CID 71997745) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine
PubChem CID71997745
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC Name1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine
SMILESO=S(=O)(CC1CCOCC1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C18H27NO3S/c20-23(21,15-17-10-13-22-14-11-17)19-12-4-7-18(19)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2
InChIKeySURTVSXZJGDEOR-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)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

3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
CID 95780361
methylidene-oxo-[2-(2-phenylethyl)piperidin-1-yl]-thiophen-2-yl-λ6-sulfane
CID 158700117
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine?
The IUPAC name of 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine (CID 71997745) is 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine.
What is the SMILES notation for 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine?
The canonical SMILES for 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine is O=S(=O)(CC1CCOCC1)N1CCCC1CCc1ccccc1.
What is the InChIKey of 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine?
The InChIKey is SURTVSXZJGDEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c20-23(21,15-17-10-13-22-14-11-17)19-12-4-7-18(19)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2.
What are the key properties of 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine?
1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine has a molecular weight of 337.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 71997745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).