(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone

C13H20N2OS — CID 63624400

IUPAC(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
SMILESCc1sc(C(=O)N2CCCC(C)CC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-9-4-3-6-15(7-5-9)13(16)12-8-11(14)10(2)17-12/h8-9H,3-7,14H2,1-2H3
InChIKeyFPZWERCVKNIUIT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.90
Rot. Bonds1

About (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone (PubChem CID 63624400) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
PubChem CID63624400
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
SMILESCc1sc(C(=O)N2CCCC(C)CC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-9-4-3-6-15(7-5-9)13(16)12-8-11(14)10(2)17-12/h8-9H,3-7,14H2,1-2H3
InChIKeyFPZWERCVKNIUIT-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)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-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61103279
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61109998
(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 61115940
(4-amino-5-methylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796719
(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 61108625
(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109090
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone (CID 63624400) is (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone is Cc1sc(C(=O)N2CCCC(C)CC2)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone?
The InChIKey is FPZWERCVKNIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-4-3-6-15(7-5-9)13(16)12-8-11(14)10(2)17-12/h8-9H,3-7,14H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 63624400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).