[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone

C26H42N2O4S — CID 153420576

IUPAC[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(S(=O)(=O)C5CC5)C4)CC3)CC2)CCC1
InChIInChI=1S/C26H42N2O4S/c1-26(12-3-13-26)25(30)28-16-14-27(15-17-28)24(29)20-8-6-19(7-9-20)21-4-2-5-23(18-21)33(31,32)22-10-11-22/h19-23H,2-18H2,1H3
InChIKeyUKASYMAIEAOFNQ-UHFFFAOYSA-N
MW478.70 g/mol
LogP3.79
Rot. Bonds5

About [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone

[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone (PubChem CID 153420576) has the molecular formula C26H42N2O4S and a molecular weight of 478.70 g/mol. Its IUPAC name is [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
PubChem CID153420576
Molecular FormulaC26H42N2O4S
Molecular Weight478.70 g/mol
Exact Mass478.29
IUPAC Name[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(S(=O)(=O)C5CC5)C4)CC3)CC2)CCC1
InChIInChI=1S/C26H42N2O4S/c1-26(12-3-13-26)25(30)28-16-14-27(15-17-28)24(29)20-8-6-19(7-9-20)21-4-2-5-23(18-21)33(31,32)22-10-11-22/h19-23H,2-18H2,1H3
InChIKeyUKASYMAIEAOFNQ-UHFFFAOYSA-N
XLogP3.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone (CID 153420576) is [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone is CC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(S(=O)(=O)C5CC5)C4)CC3)CC2)CCC1.
What is the InChIKey of [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is UKASYMAIEAOFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O4S/c1-26(12-3-13-26)25(30)28-16-14-27(15-17-28)24(29)20-8-6-19(7-9-20)21-4-2-5-23(18-21)33(31,32)22-10-11-22/h19-23H,2-18H2,1H3.
What are the key properties of [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
[4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 478.70 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropylsulfonylcyclohexyl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 153420576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).