1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine

C15H30N2O2S — CID 59691463

IUPAC1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)16-9-11-17(12-10-16)20(18,19)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyFXLQYFMWMAGCBK-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.31
Rot. Bonds3

About 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine

1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine (PubChem CID 59691463) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine
PubChem CID59691463
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)16-9-11-17(12-10-16)20(18,19)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyFXLQYFMWMAGCBK-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine 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 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine (CID 59691463) is 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine is CC(C)(C)N1CCN(S(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine?
The InChIKey is FXLQYFMWMAGCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-15(2,3)16-9-11-17(12-10-16)20(18,19)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine?
1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine has a molecular weight of 302.48 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine is sourced from PubChem (CID 59691463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).