6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

C12H18N2OS — CID 20590132

IUPAC6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCNC1CCC(C)CN(c2cccs2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9-5-6-10(13-2)12(15)14(8-9)11-4-3-7-16-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3
InChIKeyLQAQEVJYJUVGAF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.10
Rot. Bonds2

About 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (PubChem CID 20590132) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
PubChem CID20590132
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCNC1CCC(C)CN(c2cccs2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9-5-6-10(13-2)12(15)14(8-9)11-4-3-7-16-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3
InChIKeyLQAQEVJYJUVGAF-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-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

2-[acetyl(thiophen-2-yl)amino]-N-ethylpropanamide
CID 19602467
3-(Methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589806
3-(Methylamino)-1-thiophen-3-ylazepan-2-one
CID 20589809
3-(Methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one
CID 20589810
5-(Methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one
CID 20589843
5-(Methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
CID 20589846
4,4-Dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589901
4,4-Dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 20589904
4-Methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589949
4-Methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 20589952
4-Methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one
CID 20589953
5,5-Dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589998

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The IUPAC name of 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (CID 20590132) is 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The canonical SMILES for 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is CNC1CCC(C)CN(c2cccs2)C1=O.
What is the InChIKey of 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The InChIKey is LQAQEVJYJUVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-6-10(13-2)12(15)14(8-9)11-4-3-7-16-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is sourced from PubChem (CID 20590132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).