2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide

C15H19NO2S — CID 55032158

IUPAC2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide
SMILESCN(Cc1csc(C#CCCO)c1)C(=O)CC1CC1
InChIInChI=1S/C15H19NO2S/c1-16(15(18)9-12-5-6-12)10-13-8-14(19-11-13)4-2-3-7-17/h8,11-12,17H,3,5-7,9-10H2,1H3
InChIKeyOYUUSKQYYBHWIW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.24
Rot. Bonds5

About 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide

2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide (PubChem CID 55032158) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide
PubChem CID55032158
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide
SMILESCN(Cc1csc(C#CCCO)c1)C(=O)CC1CC1
InChIInChI=1S/C15H19NO2S/c1-16(15(18)9-12-5-6-12)10-13-8-14(19-11-13)4-2-3-7-17/h8,11-12,17H,3,5-7,9-10H2,1H3
InChIKeyOYUUSKQYYBHWIW-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
CID 54986526
1-ethyl-3-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-1,3-dimethylurea
CID 79162956
N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methyl-3-methylsulfanylpropanamide
CID 54986815
3-cyclobutyl-1-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-1-methylurea
CID 116658760
N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N,2-dimethylthiolane-2-carboxamide
CID 81453270
3-cyclopropyl-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-1-methylurea
CID 55108146
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylpentanamide
CID 54986619
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107181324
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54986864
ethyl N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methylcarbamate
CID 54986771
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79762796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide (CID 55032158) is 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide is CN(Cc1csc(C#CCCO)c1)C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide?
The InChIKey is OYUUSKQYYBHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-16(15(18)9-12-5-6-12)10-13-8-14(19-11-13)4-2-3-7-17/h8,11-12,17H,3,5-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide?
2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 55032158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).