3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide

C10H13N3OS — CID 61114368

IUPAC3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1sccc1N
InChIInChI=1S/C10H13N3OS/c1-7(5-11)6-13(2)10(14)9-8(12)3-4-15-9/h3-4,7H,6,12H2,1-2H3
InChIKeyPFBDWHPLBIYSTO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide

3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide (PubChem CID 61114368) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
PubChem CID61114368
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1sccc1N
InChIInChI=1S/C10H13N3OS/c1-7(5-11)6-13(2)10(14)9-8(12)3-4-15-9/h3-4,7H,6,12H2,1-2H3
InChIKeyPFBDWHPLBIYSTO-UHFFFAOYSA-N
XLogP1.56
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61095580
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide (CID 61114368) is 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide is CC(C#N)CN(C)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide?
The InChIKey is PFBDWHPLBIYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(5-11)6-13(2)10(14)9-8(12)3-4-15-9/h3-4,7H,6,12H2,1-2H3.
What are the key properties of 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide?
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61114368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).