diazinan-1-yl-(4-methylthiophen-3-yl)methanone

C10H14N2OS — CID 130927668

IUPACdiazinan-1-yl-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCCN1
InChIInChI=1S/C10H14N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11-12/h6-7,11H,2-5H2,1H3
InChIKeyGZQQLSAVCSPGSL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.80
Rot. Bonds1

About diazinan-1-yl-(4-methylthiophen-3-yl)methanone

diazinan-1-yl-(4-methylthiophen-3-yl)methanone (PubChem CID 130927668) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is diazinan-1-yl-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Namediazinan-1-yl-(4-methylthiophen-3-yl)methanone
PubChem CID130927668
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Namediazinan-1-yl-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCCN1
InChIInChI=1S/C10H14N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11-12/h6-7,11H,2-5H2,1H3
InChIKeyGZQQLSAVCSPGSL-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diazinan-1-yl-(4-methylthiophen-3-yl)methanone?
The IUPAC name of diazinan-1-yl-(4-methylthiophen-3-yl)methanone (CID 130927668) is diazinan-1-yl-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for diazinan-1-yl-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for diazinan-1-yl-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)N1CCCCN1.
What is the InChIKey of diazinan-1-yl-(4-methylthiophen-3-yl)methanone?
The InChIKey is GZQQLSAVCSPGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11-12/h6-7,11H,2-5H2,1H3.
What are the key properties of diazinan-1-yl-(4-methylthiophen-3-yl)methanone?
diazinan-1-yl-(4-methylthiophen-3-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-yl-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 130927668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).