3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile

C14H18N2O3S — CID 107466799

IUPAC3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile
SMILESCOc1cccc(C#N)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-19-12-7-3-5-10(9-15)14(12)16-11-6-4-8-13(11)20(2,17)18/h3,5,7,11,13,16H,4,6,8H2,1-2H3
InChIKeyWRRJCCURRCXFBV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.94
Rot. Bonds4

About 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile

3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile (PubChem CID 107466799) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile
PubChem CID107466799
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile
SMILESCOc1cccc(C#N)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-19-12-7-3-5-10(9-15)14(12)16-11-6-4-8-13(11)20(2,17)18/h3,5,7,11,13,16H,4,6,8H2,1-2H3
InChIKeyWRRJCCURRCXFBV-UHFFFAOYSA-N
XLogP1.94
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile 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-methoxy-2-[(3-methylsulfonylcyclohexyl)amino]benzonitrile
CID 107467482
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
2-methoxy-N-(2-methylsulfonylcyclopentyl)-4-nitroaniline
CID 65044035
2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
CID 107466646
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
2-[(1,1-dioxothiolan-3-yl)amino]-3-methoxybenzonitrile
CID 107467134
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
CID 107467835
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile?
The IUPAC name of 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile (CID 107466799) is 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile is COc1cccc(C#N)c1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile?
The InChIKey is WRRJCCURRCXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-12-7-3-5-10(9-15)14(12)16-11-6-4-8-13(11)20(2,17)18/h3,5,7,11,13,16H,4,6,8H2,1-2H3.
What are the key properties of 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile?
3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile has a molecular weight of 294.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 107466799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).