3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide

C14H21N3OS — CID 103422409

IUPAC3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
SMILESCCN(CC1CC1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-2-17(7-8-3-4-8)14-10(9-5-6-9)11(15)12(19-14)13(16)18/h8-9H,2-7,15H2,1H3,(H2,16,18)
InChIKeyQAWHVUSDNFRZAR-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide (PubChem CID 103422409) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
PubChem CID103422409
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
SMILESCCN(CC1CC1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-2-17(7-8-3-4-8)14-10(9-5-6-9)11(15)12(19-14)13(16)18/h8-9H,2-7,15H2,1H3,(H2,16,18)
InChIKeyQAWHVUSDNFRZAR-UHFFFAOYSA-N
XLogP2.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide (CID 103422409) is 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide is CCN(CC1CC1)c1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The InChIKey is QAWHVUSDNFRZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-17(7-8-3-4-8)14-10(9-5-6-9)11(15)12(19-14)13(16)18/h8-9H,2-7,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).