N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine

C16H15NO3S — CID 60708524

IUPACN-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine
SMILESO=S1(=O)CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C16H15NO3S/c18-21(19)8-7-12(10-21)17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)20-16/h1-6,9,12,17H,7-8,10H2
InChIKeyINBIUXRIHCHCDD-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.18
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine

N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine (PubChem CID 60708524) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine
PubChem CID60708524
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine
SMILESO=S1(=O)CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C16H15NO3S/c18-21(19)8-7-12(10-21)17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)20-16/h1-6,9,12,17H,7-8,10H2
InChIKeyINBIUXRIHCHCDD-UHFFFAOYSA-N
XLogP3.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 40954290
N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine
CID 62976689
N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
CID 80679367
N-[(3R)-1,1-dioxothiolan-3-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 7116120
5-[(1,1-dioxothiolan-3-yl)amino]isoindole-1,3-dione
CID 43197052
6-[(1,1-dioxothiolan-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 63162940
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
2-chloro-4-[(1,1-dioxothiolan-3-yl)amino]benzonitrile
CID 43348079
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678
2-chloro-4-N-(1,1-dioxothiolan-3-yl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54867399
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
CID 63162966

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine (CID 60708524) is N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine is O=S1(=O)CCC(Nc2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine?
The InChIKey is INBIUXRIHCHCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-21(19)8-7-12(10-21)17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)20-16/h1-6,9,12,17H,7-8,10H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine?
N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine is sourced from PubChem (CID 60708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).