1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one

C10H14N2OS — CID 115101874

IUPAC1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
SMILESCc1ccc(N2CCCNCC2=O)s1
InChIInChI=1S/C10H14N2OS/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3
InChIKeyDNNVPINUJGFMTL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.38
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one

1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one (PubChem CID 115101874) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
PubChem CID115101874
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
SMILESCc1ccc(N2CCCNCC2=O)s1
InChIInChI=1S/C10H14N2OS/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3
InChIKeyDNNVPINUJGFMTL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one (CID 115101874) is 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one is Cc1ccc(N2CCCNCC2=O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one?
The InChIKey is DNNVPINUJGFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one?
1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 115101874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).