(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide

C18H19NO2S — CID 170789345

IUPAC(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H19NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-11H,1-4H3/b19-12+/t22-/m0/s1
InChIKeyLPIIFYSTSBPOSC-PSXBWXLBSA-N
MW313.42 g/mol
LogP4.86
Rot. Bonds2

About (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide

(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 170789345) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
PubChem CID170789345
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H19NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-11H,1-4H3/b19-12+/t22-/m0/s1
InChIKeyLPIIFYSTSBPOSC-PSXBWXLBSA-N
XLogP4.86
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-prop-1-en-2-yldibenzofuran
CID 142504770
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
methyl dibenzofuran-2-carboxylate
CID 3702628
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 176891324
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide (CID 170789345) is (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide is C/C(=N\[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is LPIIFYSTSBPOSC-PSXBWXLBSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-11H,1-4H3/b19-12+/t22-/m0/s1.
What are the key properties of (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide?
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 313.42 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).