(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine

C10H11Cl2NS — CID 94844656

IUPAC(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
SMILESClc1ccc(S[C@@H]2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m1/s1
InChIKeyXICYHAYZDPBRIT-MRVPVSSYSA-N
MW248.18 g/mol
LogP3.45
Rot. Bonds2

About (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine

(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine (PubChem CID 94844656) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
PubChem CID94844656
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC Name(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
SMILESClc1ccc(S[C@@H]2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m1/s1
InChIKeyXICYHAYZDPBRIT-MRVPVSSYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine 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

bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
3-(4-fluorophenyl)sulfanylpyrrolidine
CID 62328283
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
CID 62329474
3-phenylsulfanylpyrrolidine
CID 18337182
3-(3-bromophenyl)sulfanylpyrrolidine
CID 62803924
3-pyrrolidin-3-ylsulfanylaniline
CID 79134207
4-pyrrolidin-3-ylsulfanylbenzonitrile
CID 146510294
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
CID 71639811
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine?
The IUPAC name of (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine (CID 94844656) is (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine.
What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine?
The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine is Clc1ccc(S[C@@H]2CCNC2)cc1Cl.
What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine?
The InChIKey is XICYHAYZDPBRIT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine?
(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine has a molecular weight of 248.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine is sourced from PubChem (CID 94844656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).