3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide

C13H21N3OS2 — CID 107403343

IUPAC3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCN(CC1CCC1)c1sc(C(N)=O)c(N)c1SC
InChIInChI=1S/C13H21N3OS2/c1-3-16(7-8-5-4-6-8)13-11(18-2)9(14)10(19-13)12(15)17/h8H,3-7,14H2,1-2H3,(H2,15,17)
InChIKeyNKLVFBXDHARHQZ-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.78
Rot. Bonds6

About 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 107403343) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID107403343
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC Name3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCN(CC1CCC1)c1sc(C(N)=O)c(N)c1SC
InChIInChI=1S/C13H21N3OS2/c1-3-16(7-8-5-4-6-8)13-11(18-2)9(14)10(19-13)12(15)17/h8H,3-7,14H2,1-2H3,(H2,15,17)
InChIKeyNKLVFBXDHARHQZ-UHFFFAOYSA-N
XLogP2.78
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide (CID 107403343) is 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide is CCN(CC1CCC1)c1sc(C(N)=O)c(N)c1SC.
What is the InChIKey of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is NKLVFBXDHARHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-3-16(7-8-5-4-6-8)13-11(18-2)9(14)10(19-13)12(15)17/h8H,3-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 299.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).