4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol

C15H29NOS — CID 62609534

IUPAC4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCSCC2)C1
InChIInChI=1S/C15H29NOS/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-18-9-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyWGIJFLYMRHPVLC-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.86
Rot. Bonds2

About 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol

4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol (PubChem CID 62609534) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
PubChem CID62609534
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCSCC2)C1
InChIInChI=1S/C15H29NOS/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-18-9-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyWGIJFLYMRHPVLC-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol (CID 62609534) is 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(CN2CCSCC2)C1.
What is the InChIKey of 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is WGIJFLYMRHPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-18-9-7-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 271.47 g/mol, XLogP of 2.86, 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-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 62609534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).