3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide

C15H23N3OS — CID 103420635

IUPAC3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCCCCCC2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3OS/c16-12-11(10-6-7-10)15(20-13(12)14(17)19)18-8-4-2-1-3-5-9-18/h10H,1-9,16H2,(H2,17,19)
InChIKeyIKMBRFLYKCPBOP-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.08
Rot. Bonds3

About 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide

3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide (PubChem CID 103420635) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
PubChem CID103420635
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCCCCCC2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3OS/c16-12-11(10-6-7-10)15(20-13(12)14(17)19)18-8-4-2-1-3-5-9-18/h10H,1-9,16H2,(H2,17,19)
InChIKeyIKMBRFLYKCPBOP-UHFFFAOYSA-N
XLogP3.08
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103505577
[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103524852
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide (CID 103420635) is 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide is NC(=O)c1sc(N2CCCCCCC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide?
The InChIKey is IKMBRFLYKCPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-12-11(10-6-7-10)15(20-13(12)14(17)19)18-8-4-2-1-3-5-9-18/h10H,1-9,16H2,(H2,17,19).
What are the key properties of 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide?
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 103420635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).