4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

C15H31N3O2S — CID 62994304

IUPAC4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-15(2,3)12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)21(4,19)20/h12-14H,5-11,16H2,1-4H3
InChIKeyQTVQEHJEQGDGTI-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.11
Rot. Bonds2

About 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 62994304) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID62994304
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-15(2,3)12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)21(4,19)20/h12-14H,5-11,16H2,1-4H3
InChIKeyQTVQEHJEQGDGTI-UHFFFAOYSA-N
XLogP1.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine 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-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (CID 62994304) is 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is QTVQEHJEQGDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-15(2,3)12-5-6-13(16)14(11-12)17-7-9-18(10-8-17)21(4,19)20/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 62994304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).