5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one

C12H16N2OS — CID 141143649

IUPAC5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one
SMILESCC(C)C1NC(=O)N(c2ccccc2)CS1
InChIInChI=1S/C12H16N2OS/c1-9(2)11-13-12(15)14(8-16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15)
InChIKeyVVTWXMFUWPYGEE-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.89
Rot. Bonds2

About 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one

5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one (PubChem CID 141143649) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one
PubChem CID141143649
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one
SMILESCC(C)C1NC(=O)N(c2ccccc2)CS1
InChIInChI=1S/C12H16N2OS/c1-9(2)11-13-12(15)14(8-16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15)
InChIKeyVVTWXMFUWPYGEE-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
5-chloro-3-phenyl-1,3-thiazolidin-4-one
CID 54121276
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
2,5-diphenyl-1,3,5-thiadiazinane-4-thione
CID 20813296
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
4-methylidene-1-phenylpiperidin-2-one;2-methylpropane
CID 167704846
(5S)-5-amino-1-phenylpiperidin-2-one
CID 91616936
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one?
The IUPAC name of 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one (CID 141143649) is 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one.
What is the SMILES notation for 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one?
The canonical SMILES for 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one is CC(C)C1NC(=O)N(c2ccccc2)CS1.
What is the InChIKey of 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one?
The InChIKey is VVTWXMFUWPYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)11-13-12(15)14(8-16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15).
What are the key properties of 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one?
5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one is sourced from PubChem (CID 141143649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).