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

C11H16N2OS — CID 20589809

IUPAC3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCCN(c2ccsc2)C1=O
InChIInChI=1S/C11H16N2OS/c1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9/h5,7-8,10,12H,2-4,6H2,1H3
InChIKeyFJUJAZBFHCQRTJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.85
Rot. Bonds2

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

3-(methylamino)-1-thiophen-3-ylazepan-2-one (PubChem CID 20589809) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(methylamino)-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-thiophen-3-ylazepan-2-one
PubChem CID20589809
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCCN(c2ccsc2)C1=O
InChIInChI=1S/C11H16N2OS/c1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9/h5,7-8,10,12H,2-4,6H2,1H3
InChIKeyFJUJAZBFHCQRTJ-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide
CID 164632183
(3S)-3-[methyl(thiophen-3-yl)amino]piperidin-2-one
CID 164634297
2-(thiophen-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 116153472
4,4-difluoro-N-thiophen-3-ylpyrrolidine-2-carboxamide
CID 120350062
(2R,4S)-4-fluoro-N-thiophen-3-ylpyrrolidine-2-carboxamide
CID 120469359
N-(2-aminoethyl)-N-thiophen-3-ylacetamide
CID 18761095
3-(Methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589806
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

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 3-(methylamino)-1-thiophen-3-ylazepan-2-one (CID 20589809) is 3-(methylamino)-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 3-(methylamino)-1-thiophen-3-ylazepan-2-one is CNC1CCCCN(c2ccsc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The InChIKey is FJUJAZBFHCQRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9/h5,7-8,10,12H,2-4,6H2,1H3.
What are the key properties of 3-(methylamino)-1-thiophen-3-ylazepan-2-one?
3-(methylamino)-1-thiophen-3-ylazepan-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 20589809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).