2,2-dimethyl-1,3,4-thiadiazinan-5-one

C5H10N2OS — CID 15497301

IUPAC2,2-dimethyl-1,3,4-thiadiazinan-5-one
SMILESCC1(C)NNC(=O)CS1
InChIInChI=1S/C5H10N2OS/c1-5(2)7-6-4(8)3-9-5/h7H,3H2,1-2H3,(H,6,8)
InChIKeyINRVEKDZSFHRND-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.09
Rot. Bonds

About 2,2-dimethyl-1,3,4-thiadiazinan-5-one

2,2-dimethyl-1,3,4-thiadiazinan-5-one (PubChem CID 15497301) has the molecular formula C5H10N2OS and a molecular weight of 146.21 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,4-thiadiazinan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3,4-thiadiazinan-5-one
PubChem CID15497301
Molecular FormulaC5H10N2OS
Molecular Weight146.21 g/mol
Exact Mass146.05
IUPAC Name2,2-dimethyl-1,3,4-thiadiazinan-5-one
SMILESCC1(C)NNC(=O)CS1
InChIInChI=1S/C5H10N2OS/c1-5(2)7-6-4(8)3-9-5/h7H,3H2,1-2H3,(H,6,8)
InChIKeyINRVEKDZSFHRND-UHFFFAOYSA-N
XLogP0.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,4-thiadiazinan-5-one?
The IUPAC name of 2,2-dimethyl-1,3,4-thiadiazinan-5-one (CID 15497301) is 2,2-dimethyl-1,3,4-thiadiazinan-5-one.
What is the SMILES notation for 2,2-dimethyl-1,3,4-thiadiazinan-5-one?
The canonical SMILES for 2,2-dimethyl-1,3,4-thiadiazinan-5-one is CC1(C)NNC(=O)CS1.
What is the InChIKey of 2,2-dimethyl-1,3,4-thiadiazinan-5-one?
The InChIKey is INRVEKDZSFHRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-5(2)7-6-4(8)3-9-5/h7H,3H2,1-2H3,(H,6,8).
What are the key properties of 2,2-dimethyl-1,3,4-thiadiazinan-5-one?
2,2-dimethyl-1,3,4-thiadiazinan-5-one has a molecular weight of 146.21 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,4-thiadiazinan-5-one is sourced from PubChem (CID 15497301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).