2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile

C18H25N3O2S — CID 38812795

IUPAC2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H25N3O2S/c19-10-11-20-12-14-21(15-13-20)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16H,1-5,11-15H2
InChIKeyCFKVVHJLIHVPAW-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile (PubChem CID 38812795) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile
PubChem CID38812795
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H25N3O2S/c19-10-11-20-12-14-21(15-13-20)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16H,1-5,11-15H2
InChIKeyCFKVVHJLIHVPAW-UHFFFAOYSA-N
XLogP2.56
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile 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

(2S)-3-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 8694796
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
4-[4-(cyanomethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34911945
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705350
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile (CID 38812795) is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile is N#CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile?
The InChIKey is CFKVVHJLIHVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c19-10-11-20-12-14-21(15-13-20)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16H,1-5,11-15H2.
What are the key properties of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile?
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile has a molecular weight of 347.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]acetonitrile is sourced from PubChem (CID 38812795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).