N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide

C10H11NOS — CID 164657009

IUPACN-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1csc(C)c1C
InChIInChI=1S/C10H11NOS/c1-4-10(12)11-5-9-6-13-8(3)7(9)2/h1,6H,5H2,2-3H3,(H,11,12)
InChIKeyOMDUJWVZHUWOFJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.61
Rot. Bonds2

About N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide

N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide (PubChem CID 164657009) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide
PubChem CID164657009
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1csc(C)c1C
InChIInChI=1S/C10H11NOS/c1-4-10(12)11-5-9-6-13-8(3)7(9)2/h1,6H,5H2,2-3H3,(H,11,12)
InChIKeyOMDUJWVZHUWOFJ-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silthiofam-des(trimethylsilyl)
CID 84557985
N-[(4-phenylthiophen-3-yl)methyl]acetamide
CID 162399246
2-(cyanomethylsulfanyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 45885668
N-benzyl-3-thiophen-2-ylprop-2-ynamide
CID 50917909
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 130006618
3-phenyl-N-(thiophen-2-ylmethyl)prop-2-ynamide
CID 154718442
3,3,3-trifluoro-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 45810573
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 54984703
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 54986528
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,3,3-trifluoropropanamide
CID 64304217
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 65245185
2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78990955

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide?
The IUPAC name of N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide (CID 164657009) is N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide is C#CC(=O)NCc1csc(C)c1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide?
The InChIKey is OMDUJWVZHUWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-4-10(12)11-5-9-6-13-8(3)7(9)2/h1,6H,5H2,2-3H3,(H,11,12).
What are the key properties of N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide?
N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide has a molecular weight of 193.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-3-yl)methyl]prop-2-ynamide is sourced from PubChem (CID 164657009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).