3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide

C14H21N3OS — CID 103419872

IUPAC3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCCC2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-7-3-2-4-8-17/h9H,2-8,15H2,1H3,(H,16,18)
InChIKeyVOMUBDXKCCMNAO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide

3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 103419872) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID103419872
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCCC2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-7-3-2-4-8-17/h9H,2-8,15H2,1H3,(H,16,18)
InChIKeyVOMUBDXKCCMNAO-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507499
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103506647
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
3-amino-4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103509349
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103524852

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide (CID 103419872) is 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCCCC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is VOMUBDXKCCMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-7-3-2-4-8-17/h9H,2-8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103419872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).