3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide

C11H13NOS — CID 103579009

IUPAC3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
SMILESC#CC(CC)NC(=O)c1sccc1C
InChIInChI=1S/C11H13NOS/c1-4-9(5-2)12-11(13)10-8(3)6-7-14-10/h1,6-7,9H,5H2,2-3H3,(H,12,13)
InChIKeyAFKQCFXTJLAXAC-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide

3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide (PubChem CID 103579009) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
PubChem CID103579009
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
SMILESC#CC(CC)NC(=O)c1sccc1C
InChIInChI=1S/C11H13NOS/c1-4-9(5-2)12-11(13)10-8(3)6-7-14-10/h1,6-7,9H,5H2,2-3H3,(H,12,13)
InChIKeyAFKQCFXTJLAXAC-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
CID 114299504
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
2-methyl-N-pent-1-yn-3-yl-5-sulfanylbenzamide
CID 106229815
3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide (CID 103579009) is 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide is C#CC(CC)NC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The InChIKey is AFKQCFXTJLAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-4-9(5-2)12-11(13)10-8(3)6-7-14-10/h1,6-7,9H,5H2,2-3H3,(H,12,13).
What are the key properties of 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide?
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide has a molecular weight of 207.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 103579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).