1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one

C6H11N3OS — CID 3606068

IUPAC1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one
SMILESCN(C)N1CCC(=O)NC1=S
InChIInChI=1S/C6H11N3OS/c1-8(2)9-4-3-5(10)7-6(9)11/h3-4H2,1-2H3,(H,7,10,11)
InChIKeyDTXBDSYARYJCDH-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.43
Rot. Bonds1

About 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one

1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 3606068) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID3606068
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one
SMILESCN(C)N1CCC(=O)NC1=S
InChIInChI=1S/C6H11N3OS/c1-8(2)9-4-3-5(10)7-6(9)11/h3-4H2,1-2H3,(H,7,10,11)
InChIKeyDTXBDSYARYJCDH-UHFFFAOYSA-N
XLogP-0.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one (CID 3606068) is 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one is CN(C)N1CCC(=O)NC1=S.
What is the InChIKey of 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is DTXBDSYARYJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-8(2)9-4-3-5(10)7-6(9)11/h3-4H2,1-2H3,(H,7,10,11).
What are the key properties of 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one?
1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 173.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 3606068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).