2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol

C14H27NO2S — CID 55105876

IUPAC2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H27NO2S/c1-11(2)12-3-4-14(16)13(9-12)10-15-5-7-18(17)8-6-15/h11-14,16H,3-10H2,1-2H3
InChIKeyGQTODQQRWCRBEP-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.48
Rot. Bonds3

About 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol

2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55105876) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID55105876
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C14H27NO2S/c1-11(2)12-3-4-14(16)13(9-12)10-15-5-7-18(17)8-6-15/h11-14,16H,3-10H2,1-2H3
InChIKeyGQTODQQRWCRBEP-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 55105876) is 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is GQTODQQRWCRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11(2)12-3-4-14(16)13(9-12)10-15-5-7-18(17)8-6-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55105876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).