2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan

C14H15N3O2S — CID 22730499

IUPAC2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan
SMILES[N-]=[N+]=NC(COCc1ccco1)CSc1ccccc1
InChIInChI=1S/C14H15N3O2S/c15-17-16-12(9-18-10-13-5-4-8-19-13)11-20-14-6-2-1-3-7-14/h1-8,12H,9-11H2
InChIKeyMGXXCKARNUXIAH-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.27
Rot. Bonds8

About 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan

2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan (PubChem CID 22730499) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan.

Molecular Properties

Compound Name2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan
PubChem CID22730499
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan
SMILES[N-]=[N+]=NC(COCc1ccco1)CSc1ccccc1
InChIInChI=1S/C14H15N3O2S/c15-17-16-12(9-18-10-13-5-4-8-19-13)11-20-14-6-2-1-3-7-14/h1-8,12H,9-11H2
InChIKeyMGXXCKARNUXIAH-UHFFFAOYSA-N
XLogP4.27
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-3-phenylsulfanylpropanal
CID 57183074
2-amino-3-(furan-2-ylmethoxy)propanoic acid
CID 65443764
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
2-ethoxy-3-(furan-2-ylmethoxy)propanoic acid
CID 63074632
3-(furan-2-ylmethoxy)-2-methylpropanenitrile
CID 43367411
2-(fluoromethoxymethyl)furan
CID 143116843
1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol
CID 132604993
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
2-(2-azidohexoxymethyl)thiophene
CID 54406472

Frequently Asked Questions

What is the IUPAC name of 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan?
The IUPAC name of 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan (CID 22730499) is 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan.
What is the SMILES notation for 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan?
The canonical SMILES for 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan is [N-]=[N+]=NC(COCc1ccco1)CSc1ccccc1.
What is the InChIKey of 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan?
The InChIKey is MGXXCKARNUXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-17-16-12(9-18-10-13-5-4-8-19-13)11-20-14-6-2-1-3-7-14/h1-8,12H,9-11H2.
What are the key properties of 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan?
2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan has a molecular weight of 289.36 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan is sourced from PubChem (CID 22730499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).