1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione

C10H16N2O2S — CID 80730419

IUPAC1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1(CN2CCC(=O)NC2=O)CCCS1
InChIInChI=1S/C10H16N2O2S/c1-10(4-2-6-15-10)7-12-5-3-8(13)11-9(12)14/h2-7H2,1H3,(H,11,13,14)
InChIKeyIFWCFRHJFNYWMW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.21
Rot. Bonds2

About 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione

1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 80730419) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID80730419
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1(CN2CCC(=O)NC2=O)CCCS1
InChIInChI=1S/C10H16N2O2S/c1-10(4-2-6-15-10)7-12-5-3-8(13)11-9(12)14/h2-7H2,1H3,(H,11,13,14)
InChIKeyIFWCFRHJFNYWMW-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione (CID 80730419) is 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione is CC1(CN2CCC(=O)NC2=O)CCCS1.
What is the InChIKey of 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is IFWCFRHJFNYWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(4-2-6-15-10)7-12-5-3-8(13)11-9(12)14/h2-7H2,1H3,(H,11,13,14).
What are the key properties of 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione?
1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 228.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 80730419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).