(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone

C11H14ClN3O2S — CID 97053913

IUPAC(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ncncc2Cl)CC[S@]1=O
InChIInChI=1S/C11H14ClN3O2S/c1-11(2)6-15(3-4-18(11)17)10(16)9-8(12)5-13-7-14-9/h5,7H,3-4,6H2,1-2H3/t18-/m1/s1
InChIKeyNZHLKZYRSSTOOQ-GOSISDBHSA-N
MW287.77 g/mol
LogP1.11
Rot. Bonds1

About (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone

(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone (PubChem CID 97053913) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
PubChem CID97053913
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ncncc2Cl)CC[S@]1=O
InChIInChI=1S/C11H14ClN3O2S/c1-11(2)6-15(3-4-18(11)17)10(16)9-8(12)5-13-7-14-9/h5,7H,3-4,6H2,1-2H3/t18-/m1/s1
InChIKeyNZHLKZYRSSTOOQ-GOSISDBHSA-N
XLogP1.11
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone with MolForge

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Related Compounds

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methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone (CID 97053913) is (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone is CC1(C)CN(C(=O)c2ncncc2Cl)CC[S@]1=O.
What is the InChIKey of (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is NZHLKZYRSSTOOQ-GOSISDBHSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-11(2)6-15(3-4-18(11)17)10(16)9-8(12)5-13-7-14-9/h5,7H,3-4,6H2,1-2H3/t18-/m1/s1.
What are the key properties of (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone?
(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 287.77 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 97053913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).