N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine

C14H17NO4S — CID 43222617

IUPACN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCOc1cccc2cc(CNC3CCS(=O)(=O)C3)oc12
InChIInChI=1S/C14H17NO4S/c1-18-13-4-2-3-10-7-12(19-14(10)13)8-15-11-5-6-20(16,17)9-11/h2-4,7,11,15H,5-6,8-9H2,1H3
InChIKeyABZHHLWCIAUIAJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.72
Rot. Bonds4

About N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 43222617) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID43222617
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCOc1cccc2cc(CNC3CCS(=O)(=O)C3)oc12
InChIInChI=1S/C14H17NO4S/c1-18-13-4-2-3-10-7-12(19-14(10)13)8-15-11-5-6-20(16,17)9-11/h2-4,7,11,15H,5-6,8-9H2,1H3
InChIKeyABZHHLWCIAUIAJ-UHFFFAOYSA-N
XLogP1.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine 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

N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-6-methoxyphenol
CID 43190971
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one;hydrochloride
CID 47045790
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543
(3R)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 2449451
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 95183007
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 71927456
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine (CID 43222617) is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine is COc1cccc2cc(CNC3CCS(=O)(=O)C3)oc12.
What is the InChIKey of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is ABZHHLWCIAUIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-13-4-2-3-10-7-12(19-14(10)13)8-15-11-5-6-20(16,17)9-11/h2-4,7,11,15H,5-6,8-9H2,1H3.
What are the key properties of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 295.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43222617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).