N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide

C14H17NO3S — CID 81329988

IUPACN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2ccc(C#CCO)s2)O1
InChIInChI=1S/C14H17NO3S/c1-10-4-7-13(18-10)14(17)15-9-12-6-5-11(19-12)3-2-8-16/h5-6,10,13,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyOYYHGJFCEORDQG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.28
Rot. Bonds3

About N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide

N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide (PubChem CID 81329988) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide
PubChem CID81329988
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2ccc(C#CCO)s2)O1
InChIInChI=1S/C14H17NO3S/c1-10-4-7-13(18-10)14(17)15-9-12-6-5-11(19-12)3-2-8-16/h5-6,10,13,16H,4,7-9H2,1H3,(H,15,17)
InChIKeyOYYHGJFCEORDQG-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide (CID 81329988) is N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCc2ccc(C#CCO)s2)O1.
What is the InChIKey of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is OYYHGJFCEORDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-4-7-13(18-10)14(17)15-9-12-6-5-11(19-12)3-2-8-16/h5-6,10,13,16H,4,7-9H2,1H3,(H,15,17).
What are the key properties of N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide?
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81329988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).