3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride

C6H12ClN3OS — CID 170909329

IUPAC3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
SMILESCl.[H]/N=C1\SCN(C)C(=O)N1CC
InChIInChI=1S/C6H11N3OS.ClH/c1-3-9-5(7)11-4-8(2)6(9)10;/h7H,3-4H2,1-2H3;1H/b7-5-;
InChIKeyDVHRTGFVVUKSAF-YJOCEBFMSA-N
MW209.70 g/mol
LogP1.42
Rot. Bonds1

About 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride

3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride (PubChem CID 170909329) has the molecular formula C6H12ClN3OS and a molecular weight of 209.70 g/mol. Its IUPAC name is 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
PubChem CID170909329
Molecular FormulaC6H12ClN3OS
Molecular Weight209.70 g/mol
Exact Mass209.04
IUPAC Name3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
SMILESCl.[H]/N=C1\SCN(C)C(=O)N1CC
InChIInChI=1S/C6H11N3OS.ClH/c1-3-9-5(7)11-4-8(2)6(9)10;/h7H,3-4H2,1-2H3;1H/b7-5-;
InChIKeyDVHRTGFVVUKSAF-YJOCEBFMSA-N
XLogP1.42
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The IUPAC name of 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride (CID 170909329) is 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride.
What is the SMILES notation for 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The canonical SMILES for 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride is Cl.[H]/N=C1\SCN(C)C(=O)N1CC.
What is the InChIKey of 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The InChIKey is DVHRTGFVVUKSAF-YJOCEBFMSA-N. The full InChI is InChI=1S/C6H11N3OS.ClH/c1-3-9-5(7)11-4-8(2)6(9)10;/h7H,3-4H2,1-2H3;1H/b7-5-;.
What are the key properties of 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride?
3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride has a molecular weight of 209.70 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride is sourced from PubChem (CID 170909329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).