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

C7H14ClN3OS — CID 170909333

IUPAC2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride
SMILESCl.[H]/N=C1\SCN(CCC)C(=O)N1C
InChIInChI=1S/C7H13N3OS.ClH/c1-3-4-10-5-12-6(8)9(2)7(10)11;/h8H,3-5H2,1-2H3;1H/b8-6-;
InChIKeyFMSAJOUEUVLYHS-PHZXCRFESA-N
MW223.73 g/mol
LogP1.81
Rot. Bonds2

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

2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride (PubChem CID 170909333) has the molecular formula C7H14ClN3OS and a molecular weight of 223.73 g/mol. Its IUPAC name is 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride.

Molecular Properties

Compound Name2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride
PubChem CID170909333
Molecular FormulaC7H14ClN3OS
Molecular Weight223.73 g/mol
Exact Mass223.05
IUPAC Name2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride
SMILESCl.[H]/N=C1\SCN(CCC)C(=O)N1C
InChIInChI=1S/C7H13N3OS.ClH/c1-3-4-10-5-12-6(8)9(2)7(10)11;/h8H,3-5H2,1-2H3;1H/b8-6-;
InChIKeyFMSAJOUEUVLYHS-PHZXCRFESA-N
XLogP1.81
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Tert-butyl-2-imino-1,3,5-thiadiazinan-4-one
CID 173444768
3-Ethyl-5-hexyl-2-imino-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909327
3-Ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909329
3-Ethyl-2-imino-5-methyl-1,3,5-thiadiazinan-4-one
CID 170909330
5-Tert-butyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909331
5-Tert-butyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one
CID 170909332
2-Imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one
CID 170909334
5-Hexyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909337
5-Hexyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one
CID 170909338
3-Ethyl-2-imino-5-propan-2-yl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909339
3-Ethyl-2-imino-5-propan-2-yl-1,3,5-thiadiazinan-4-one
CID 170909340
5-Tert-butyl-3-ethyl-2-imino-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909343

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The IUPAC name of 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride (CID 170909333) is 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride.
What is the SMILES notation for 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The canonical SMILES for 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride is Cl.[H]/N=C1\SCN(CCC)C(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride?
The InChIKey is FMSAJOUEUVLYHS-PHZXCRFESA-N. The full InChI is InChI=1S/C7H13N3OS.ClH/c1-3-4-10-5-12-6(8)9(2)7(10)11;/h8H,3-5H2,1-2H3;1H/b8-6-;.
What are the key properties of 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride?
2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride has a molecular weight of 223.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one;hydrochloride is sourced from PubChem (CID 170909333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).