4-pyrrolidin-1-ylsulfinylbenzonitrile

C11H12N2OS — CID 142935040

IUPAC4-pyrrolidin-1-ylsulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)N2CCCC2)cc1
InChIInChI=1S/C11H12N2OS/c12-9-10-3-5-11(6-4-10)15(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKeyDDUVZVHNNIBFDY-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.68
Rot. Bonds2

About 4-pyrrolidin-1-ylsulfinylbenzonitrile

4-pyrrolidin-1-ylsulfinylbenzonitrile (PubChem CID 142935040) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfinylbenzonitrile.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfinylbenzonitrile
PubChem CID142935040
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-pyrrolidin-1-ylsulfinylbenzonitrile
SMILESN#Cc1ccc(S(=O)N2CCCC2)cc1
InChIInChI=1S/C11H12N2OS/c12-9-10-3-5-11(6-4-10)15(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKeyDDUVZVHNNIBFDY-UHFFFAOYSA-N
XLogP1.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-pyrrolidin-1-ylsulfinylbenzonitrile 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

azane;benzene-1,4-dicarbonitrile
CID 174336566
4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
CID 158355573
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
4-cyano-2-pyrrolidin-1-ylbenzoic acid
CID 68804373
4-(3-pyrrolidin-1-ylphenyl)benzonitrile
CID 168513837
cyclohexanamine;4-piperidin-1-ylbenzonitrile
CID 144513309
2,4-dimethyl-5-[(2-pyrrolidin-1-ylsulfinylphenyl)methyl]-1H-pyrrole-3-carbonitrile
CID 123292470
4-(3-amino-1-pyrrolidin-1-ylpropyl)benzonitrile
CID 83927429
4-cyanobenzenesulfinate;morpholin-4-ium
CID 22055072
N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 55142534

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfinylbenzonitrile?
The IUPAC name of 4-pyrrolidin-1-ylsulfinylbenzonitrile (CID 142935040) is 4-pyrrolidin-1-ylsulfinylbenzonitrile.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfinylbenzonitrile?
The canonical SMILES for 4-pyrrolidin-1-ylsulfinylbenzonitrile is N#Cc1ccc(S(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfinylbenzonitrile?
The InChIKey is DDUVZVHNNIBFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-9-10-3-5-11(6-4-10)15(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2.
What are the key properties of 4-pyrrolidin-1-ylsulfinylbenzonitrile?
4-pyrrolidin-1-ylsulfinylbenzonitrile has a molecular weight of 220.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfinylbenzonitrile is sourced from PubChem (CID 142935040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).