N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide

C11H17N3O2S — CID 39162635

IUPACN-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(C)cc1C(=O)NCCN
InChIInChI=1S/C11H17N3O2S/c1-3-9(15)14-11-8(6-7(2)17-11)10(16)13-5-4-12/h6H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyTWDSBJSGVOWAGD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.09
Rot. Bonds5

About N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide

N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide (PubChem CID 39162635) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
PubChem CID39162635
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(C)cc1C(=O)NCCN
InChIInChI=1S/C11H17N3O2S/c1-3-9(15)14-11-8(6-7(2)17-11)10(16)13-5-4-12/h6H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyTWDSBJSGVOWAGD-UHFFFAOYSA-N
XLogP1.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-methyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033414
6-[[5-methyl-2-(propanoylamino)thiophene-3-carbonyl]amino]hexanoic acid
CID 39186888
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
CID 39162735
2-[[2-(butanoylamino)-5-methylthiophene-3-carbonyl]amino]butanoic acid
CID 82033430
2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide
CID 84560852
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(2-aminoethyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39162779

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide (CID 39162635) is N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide is CCC(=O)Nc1sc(C)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The InChIKey is TWDSBJSGVOWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-9(15)14-11-8(6-7(2)17-11)10(16)13-5-4-12/h6H,3-5,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide?
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 39162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).