N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide

C11H15NO3S — CID 71804880

IUPACN-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
SMILESCOC1(CNC(=O)c2ccoc2)CCSC1
InChIInChI=1S/C11H15NO3S/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyIBCLIOGAGIXLEL-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.53
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide

N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide (PubChem CID 71804880) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
PubChem CID71804880
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
SMILESCOC1(CNC(=O)c2ccoc2)CCSC1
InChIInChI=1S/C11H15NO3S/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyIBCLIOGAGIXLEL-UHFFFAOYSA-N
XLogP1.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxythiolan-3-yl)methyl]furan-3-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

3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342
N-[(3-methoxythiolan-3-yl)methyl]-3-nitrobenzamide
CID 90584271
N-[(3-methoxythiolan-3-yl)methyl]-4-methyl-3-nitrobenzamide
CID 90584286
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 97414576
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584295
2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
CID 90584234
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide (CID 71804880) is N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide is COC1(CNC(=O)c2ccoc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide?
The InChIKey is IBCLIOGAGIXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide?
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 71804880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).