4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol

C15H29NO2S — CID 62608884

IUPAC4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-19(18)9-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyLDIZPCQSYNHBET-UHFFFAOYSA-N
MW287.47 g/mol
LogP1.87
Rot. Bonds2

About 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol

4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (PubChem CID 62608884) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
PubChem CID62608884
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-19(18)9-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyLDIZPCQSYNHBET-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 55094296
2-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 55094340
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105876
[1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
CID 62265458
4-Tert-butyl-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 62608847
4-Methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609361
4-Ethyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609362
4-Propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609363
4-Tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609534
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 62610430
4-Methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 62610603
4-Ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 62610604

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol (CID 62608884) is 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is LDIZPCQSYNHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-15(2,3)13-4-5-14(17)12(10-13)11-16-6-8-19(18)9-7-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol?
4-tert-butyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 287.47 g/mol, XLogP of 1.87, 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-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).