1-[2-(benzenesulfinyl)ethyl]pyrrolidine

C12H17NOS — CID 3042246

IUPAC1-[2-(benzenesulfinyl)ethyl]pyrrolidine
SMILESO=S(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C12H17NOS/c14-15(12-6-2-1-3-7-12)11-10-13-8-4-5-9-13/h1-3,6-7H,4-5,8-11H2
InChIKeyIAIDHEIBFLRJIF-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-(benzenesulfinyl)ethyl]pyrrolidine

1-[2-(benzenesulfinyl)ethyl]pyrrolidine (PubChem CID 3042246) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)ethyl]pyrrolidine
PubChem CID3042246
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-[2-(benzenesulfinyl)ethyl]pyrrolidine
SMILESO=S(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C12H17NOS/c14-15(12-6-2-1-3-7-12)11-10-13-8-4-5-9-13/h1-3,6-7H,4-5,8-11H2
InChIKeyIAIDHEIBFLRJIF-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(benzenesulfinyl)ethyl]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

4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
CID 2818766
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
1-(2-(Phenylsulfonyl)ethyl)pyrrolidine
CID 2778353
4-Isothiocyanatobutylsulfinylbenzene
CID 60149024
N,N-dimethyl-4-phenylsulfanylbutan-1-amine
CID 12272159
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
Pyrrolidine, 1-(2-(phenylsulfinyl)ethyl)-, hydrochloride
CID 3042245
3-(Phenylsulfonyl)pyrrolidine hydrochloride
CID 44118718
4-(benzenesulfinyl)-N,N-dimethylbutan-1-amine
CID 73357242
1-[2-(Phenylsulfonyl)ethyl]piperidine
CID 786875
2-(2-Phenylthioethyl)-1-methylpyrrolidine
CID 10513195
N,N-Diethyl-2-(phenylsulfonyl)ethanamine
CID 15579151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(benzenesulfinyl)ethyl]pyrrolidine (CID 3042246) is 1-[2-(benzenesulfinyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(benzenesulfinyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(benzenesulfinyl)ethyl]pyrrolidine is O=S(CCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)ethyl]pyrrolidine?
The InChIKey is IAIDHEIBFLRJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-15(12-6-2-1-3-7-12)11-10-13-8-4-5-9-13/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 1-[2-(benzenesulfinyl)ethyl]pyrrolidine?
1-[2-(benzenesulfinyl)ethyl]pyrrolidine has a molecular weight of 223.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)ethyl]pyrrolidine is sourced from PubChem (CID 3042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).