3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide

C10H13NOS — CID 114618529

IUPAC3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(C)CNC(=O)c1sccc1C
InChIInChI=1S/C10H13NOS/c1-7(2)6-11-10(12)9-8(3)4-5-13-9/h4-5H,1,6H2,2-3H3,(H,11,12)
InChIKeyDPRXPEHYYOUUOO-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.36
Rot. Bonds3

About 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide

3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide (PubChem CID 114618529) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
PubChem CID114618529
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(C)CNC(=O)c1sccc1C
InChIInChI=1S/C10H13NOS/c1-7(2)6-11-10(12)9-8(3)4-5-13-9/h4-5H,1,6H2,2-3H3,(H,11,12)
InChIKeyDPRXPEHYYOUUOO-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide (CID 114618529) is 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide is C=C(C)CNC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
The InChIKey is DPRXPEHYYOUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(2)6-11-10(12)9-8(3)4-5-13-9/h4-5H,1,6H2,2-3H3,(H,11,12).
What are the key properties of 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide?
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide has a molecular weight of 195.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 114618529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).