3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide

C14H23N3OS2 — CID 103420432

IUPAC3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCCCCN(C)c1sc(C(=O)NC2CC2)c(N)c1SC
InChIInChI=1S/C14H23N3OS2/c1-4-5-8-17(2)14-12(19-3)10(15)11(20-14)13(18)16-9-6-7-9/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyMYXMJKZAXJYCAL-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.18
Rot. Bonds7

About 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103420432) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103420432
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCCCCN(C)c1sc(C(=O)NC2CC2)c(N)c1SC
InChIInChI=1S/C14H23N3OS2/c1-4-5-8-17(2)14-12(19-3)10(15)11(20-14)13(18)16-9-6-7-9/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyMYXMJKZAXJYCAL-UHFFFAOYSA-N
XLogP3.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103420433
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103422266
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103419637
3-amino-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103421659
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide (CID 103420432) is 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide is CCCCN(C)c1sc(C(=O)NC2CC2)c(N)c1SC.
What is the InChIKey of 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is MYXMJKZAXJYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-4-5-8-17(2)14-12(19-3)10(15)11(20-14)13(18)16-9-6-7-9/h9H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103420432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).