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

C12H18N2OS — CID 20590271

IUPAC7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(C)N(c2ccsc2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3
InChIKeyUFQDFSFMZOZWJW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.24
Rot. Bonds2

About 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one

7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one (PubChem CID 20590271) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
PubChem CID20590271
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(C)N(c2ccsc2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3
InChIKeyUFQDFSFMZOZWJW-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one (CID 20590271) is 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one is CNC1CCCC(C)N(c2ccsc2)C1=O.
What is the InChIKey of 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The InChIKey is UFQDFSFMZOZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3.
What are the key properties of 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 20590271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).