(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine

C15H30N2S — CID 43530815

IUPAC(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C15H30N2S/c1-15(2,3)13-5-4-12(11-16)14(10-13)17-6-8-18-9-7-17/h12-14H,4-11,16H2,1-3H3
InChIKeySKEHUMLBQHEHFR-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.82
Rot. Bonds2

About (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine

(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 43530815) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID43530815
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C15H30N2S/c1-15(2,3)13-5-4-12(11-16)14(10-13)17-6-8-18-9-7-17/h12-14H,4-11,16H2,1-3H3
InChIKeySKEHUMLBQHEHFR-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine 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-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (CID 43530815) is (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is CC(C)(C)C1CCC(CN)C(N2CCSCC2)C1.
What is the InChIKey of (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is SKEHUMLBQHEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-15(2,3)13-5-4-12(11-16)14(10-13)17-6-8-18-9-7-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 270.49 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 43530815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).