2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide

C7H13N3O2S — CID 126989315

IUPAC2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide
SMILESCSCC(=O)NN1CCCNC1=O
InChIInChI=1S/C7H13N3O2S/c1-13-5-6(11)9-10-4-2-3-8-7(10)12/h2-5H2,1H3,(H,8,12)(H,9,11)
InChIKeyRKLXWLPHRHZRSQ-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.20
Rot. Bonds3

About 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide

2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide (PubChem CID 126989315) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide
PubChem CID126989315
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide
SMILESCSCC(=O)NN1CCCNC1=O
InChIInChI=1S/C7H13N3O2S/c1-13-5-6(11)9-10-4-2-3-8-7(10)12/h2-5H2,1H3,(H,8,12)(H,9,11)
InChIKeyRKLXWLPHRHZRSQ-UHFFFAOYSA-N
XLogP-0.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide (CID 126989315) is 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide is CSCC(=O)NN1CCCNC1=O.
What is the InChIKey of 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide?
The InChIKey is RKLXWLPHRHZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-13-5-6(11)9-10-4-2-3-8-7(10)12/h2-5H2,1H3,(H,8,12)(H,9,11).
What are the key properties of 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide?
2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide has a molecular weight of 203.27 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-oxo-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 126989315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).