(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone

C19H27NO2S — CID 71921754

IUPAC(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1=O
InChIInChI=1S/C19H27NO2S/c1-19(2)14-20(12-13-23(19)22)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3
InChIKeyMKDTVWLFKQNATA-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.33
Rot. Bonds2

About (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone

(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone (PubChem CID 71921754) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone
PubChem CID71921754
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1=O
InChIInChI=1S/C19H27NO2S/c1-19(2)14-20(12-13-23(19)22)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3
InChIKeyMKDTVWLFKQNATA-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone?
The IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone (CID 71921754) is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone.
What is the SMILES notation for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone?
The canonical SMILES for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone is CC1(C)CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1=O.
What is the InChIKey of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone?
The InChIKey is MKDTVWLFKQNATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-19(2)14-20(12-13-23(19)22)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3.
What are the key properties of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone?
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone has a molecular weight of 333.50 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone is sourced from PubChem (CID 71921754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).