5-amino-2,3-dimethyl-1,3-thiazinan-4-one

C6H12N2OS — CID 59888053

IUPAC5-amino-2,3-dimethyl-1,3-thiazinan-4-one
SMILESCC1SCC(N)C(=O)N1C
InChIInChI=1S/C6H12N2OS/c1-4-8(2)6(9)5(7)3-10-4/h4-5H,3,7H2,1-2H3
InChIKeySLDSTNTUVGNZTI-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.14
Rot. Bonds

About 5-amino-2,3-dimethyl-1,3-thiazinan-4-one

5-amino-2,3-dimethyl-1,3-thiazinan-4-one (PubChem CID 59888053) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-1,3-thiazinan-4-one
PubChem CID59888053
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name5-amino-2,3-dimethyl-1,3-thiazinan-4-one
SMILESCC1SCC(N)C(=O)N1C
InChIInChI=1S/C6H12N2OS/c1-4-8(2)6(9)5(7)3-10-4/h4-5H,3,7H2,1-2H3
InChIKeySLDSTNTUVGNZTI-UHFFFAOYSA-N
XLogP-0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-1,3-thiazinan-4-one?
The IUPAC name of 5-amino-2,3-dimethyl-1,3-thiazinan-4-one (CID 59888053) is 5-amino-2,3-dimethyl-1,3-thiazinan-4-one.
What is the SMILES notation for 5-amino-2,3-dimethyl-1,3-thiazinan-4-one?
The canonical SMILES for 5-amino-2,3-dimethyl-1,3-thiazinan-4-one is CC1SCC(N)C(=O)N1C.
What is the InChIKey of 5-amino-2,3-dimethyl-1,3-thiazinan-4-one?
The InChIKey is SLDSTNTUVGNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-4-8(2)6(9)5(7)3-10-4/h4-5H,3,7H2,1-2H3.
What are the key properties of 5-amino-2,3-dimethyl-1,3-thiazinan-4-one?
5-amino-2,3-dimethyl-1,3-thiazinan-4-one has a molecular weight of 160.24 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-1,3-thiazinan-4-one is sourced from PubChem (CID 59888053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).