(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone

C15H24N2O3S — CID 61109090

IUPAC(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-19-8-9-20-12-4-6-17(7-5-12)15(18)14-10-13(16)11(2)21-14/h10,12H,3-9,16H2,1-2H3
InChIKeyFYSKFNAYUNPZQT-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.30
Rot. Bonds6

About (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone

(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 61109090) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
PubChem CID61109090
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)c2cc(N)c(C)s2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-19-8-9-20-12-4-6-17(7-5-12)15(18)14-10-13(16)11(2)21-14/h10,12H,3-9,16H2,1-2H3
InChIKeyFYSKFNAYUNPZQT-UHFFFAOYSA-N
XLogP2.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79917874
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115612442
3-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871552
(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 61115940
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210666
(4-amino-5-methylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796719
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (CID 61109090) is (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is CCOCCOC1CCN(C(=O)c2cc(N)c(C)s2)CC1.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is FYSKFNAYUNPZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-19-8-9-20-12-4-6-17(7-5-12)15(18)14-10-13(16)11(2)21-14/h10,12H,3-9,16H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 312.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 61109090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).