1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one

C9H12N2OS — CID 115371154

IUPAC1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccsc1
InChIInChI=1S/C9H12N2OS/c12-9-10-3-1-4-11(9)6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyKCFOLGCCDGBHEV-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.66
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one

1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one (PubChem CID 115371154) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one
PubChem CID115371154
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccsc1
InChIInChI=1S/C9H12N2OS/c12-9-10-3-1-4-11(9)6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyKCFOLGCCDGBHEV-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71936534
4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 60810607
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
CID 115371155
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091225
1-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinan-2-one;hydrobromide
CID 141132278
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-(sulfanylmethyl)-1,3-diazinan-2-one
CID 118952516
1-ethyl-1,3-diazinan-2-one
CID 21479220
6-acetyl-3-benzyl-1,3,6-triazonan-2-one
CID 170035651
1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
CID 131091967

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one (CID 115371154) is 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one is O=C1NCCCN1Cc1ccsc1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is KCFOLGCCDGBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-10-3-1-4-11(9)6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12).
What are the key properties of 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one?
1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 196.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).