methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate

C16H24N2O2S — CID 103507198

IUPACmethyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C)C(C)C2)c(C2CC2)c1N
InChIInChI=1S/C16H24N2O2S/c1-9-6-7-18(8-10(9)2)15-12(11-4-5-11)13(17)14(21-15)16(19)20-3/h9-11H,4-8,17H2,1-3H3
InChIKeyZQSQPQLKDWEGMA-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.48
Rot. Bonds3

About methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate

methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate (PubChem CID 103507198) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
PubChem CID103507198
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Namemethyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C)C(C)C2)c(C2CC2)c1N
InChIInChI=1S/C16H24N2O2S/c1-9-6-7-18(8-10(9)2)15-12(11-4-5-11)13(17)14(21-15)16(19)20-3/h9-11H,4-8,17H2,1-3H3
InChIKeyZQSQPQLKDWEGMA-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate (CID 103507198) is methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate is COC(=O)c1sc(N2CCC(C)C(C)C2)c(C2CC2)c1N.
What is the InChIKey of methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate?
The InChIKey is ZQSQPQLKDWEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9-6-7-18(8-10(9)2)15-12(11-4-5-11)13(17)14(21-15)16(19)20-3/h9-11H,4-8,17H2,1-3H3.
What are the key properties of methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate?
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103507198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).