2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile

C12H15N3OS — CID 685920

IUPAC2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1c(C(=O)N2CCCCC2)sc(N)c1C#N
InChIInChI=1S/C12H15N3OS/c1-8-9(7-13)11(14)17-10(8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3
InChIKeyQSJXXHXNTUWPBL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.14
Rot. Bonds1

About 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile

2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile (PubChem CID 685920) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
PubChem CID685920
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1c(C(=O)N2CCCCC2)sc(N)c1C#N
InChIInChI=1S/C12H15N3OS/c1-8-9(7-13)11(14)17-10(8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3
InChIKeyQSJXXHXNTUWPBL-UHFFFAOYSA-N
XLogP2.14
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile (CID 685920) is 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile is Cc1c(C(=O)N2CCCCC2)sc(N)c1C#N.
What is the InChIKey of 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The InChIKey is QSJXXHXNTUWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-9(7-13)11(14)17-10(8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3.
What are the key properties of 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile has a molecular weight of 249.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 685920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).