[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone

C15H16N2OS — CID 172895392

IUPAC[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
SMILESCNC1CN(C(=O)c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C15H16N2OS/c1-16-14-8-17(9-14)15(18)12-4-2-3-11(7-12)13-5-6-19-10-13/h2-7,10,14,16H,8-9H2,1H3
InChIKeyWLSQMTSJVHLIGF-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.46
Rot. Bonds3

About [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone

[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone (PubChem CID 172895392) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
PubChem CID172895392
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
SMILESCNC1CN(C(=O)c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C15H16N2OS/c1-16-14-8-17(9-14)15(18)12-4-2-3-11(7-12)13-5-6-19-10-13/h2-7,10,14,16H,8-9H2,1H3
InChIKeyWLSQMTSJVHLIGF-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone 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

[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 125154753
(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-thiophen-3-ylphenyl)methanone
CID 118785953
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
(3-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 71784245
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
(3-chlorophenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097062
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone?
The IUPAC name of [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone (CID 172895392) is [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone.
What is the SMILES notation for [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone?
The canonical SMILES for [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone is CNC1CN(C(=O)c2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone?
The InChIKey is WLSQMTSJVHLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-14-8-17(9-14)15(18)12-4-2-3-11(7-12)13-5-6-19-10-13/h2-7,10,14,16H,8-9H2,1H3.
What are the key properties of [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone?
[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone has a molecular weight of 272.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone is sourced from PubChem (CID 172895392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).