3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide

C15H23N3OS2 — CID 103419637

IUPAC3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCCCCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-20-13-11(16)12(14(19)17-10-6-7-10)21-15(13)18-8-4-2-3-5-9-18/h10H,2-9,16H2,1H3,(H,17,19)
InChIKeyWUJJAHYHBFDORR-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.32
Rot. Bonds4

About 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103419637) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103419637
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCCCCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-20-13-11(16)12(14(19)17-10-6-7-10)21-15(13)18-8-4-2-3-5-9-18/h10H,2-9,16H2,1H3,(H,17,19)
InChIKeyWUJJAHYHBFDORR-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103505566
3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103421659
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418839
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570
3-amino-N-methyl-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophene-2-carboxamide
CID 103418099
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
3-amino-5-(4-methoxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103508860
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384
3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
CID 103525009
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
CID 103418251

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide (CID 103419637) is 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CCCCCC2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is WUJJAHYHBFDORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-20-13-11(16)12(14(19)17-10-6-7-10)21-15(13)18-8-4-2-3-5-9-18/h10H,2-9,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103419637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).