N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen

C13H19F2NOS — CID 144905149

IUPACN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
SMILESCC(C)(C)S(=O)NC1CCc2c(F)cc(F)cc21.[H][H]
InChIInChI=1S/C13H17F2NOS.H2/c1-13(2,3)18(17)16-12-5-4-9-10(12)6-8(14)7-11(9)15;/h6-7,12,16H,4-5H2,1-3H3;1H
InChIKeyWSUJAXAAAQOLJR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.25
Rot. Bonds2

About N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen

N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen (PubChem CID 144905149) has the molecular formula C13H19F2NOS and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
PubChem CID144905149
Molecular FormulaC13H19F2NOS
Molecular Weight275.36 g/mol
Exact Mass275.12
IUPAC NameN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
SMILESCC(C)(C)S(=O)NC1CCc2c(F)cc(F)cc21.[H][H]
InChIInChI=1S/C13H17F2NOS.H2/c1-13(2,3)18(17)16-12-5-4-9-10(12)6-8(14)7-11(9)15;/h6-7,12,16H,4-5H2,1-3H3;1H
InChIKeyWSUJAXAAAQOLJR-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[(1R)-6-cyclopropyl-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
CID 118935320
4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115760852
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3,4-difluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 142433432
tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 134337615
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943341
N-[(1R)-4-isocyano-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide
CID 140616035
(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906691
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 171682635
(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
CID 155789629
(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
CID 170957742
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The IUPAC name of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen (CID 144905149) is N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen.
What is the SMILES notation for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The canonical SMILES for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen is CC(C)(C)S(=O)NC1CCc2c(F)cc(F)cc21.[H][H].
What is the InChIKey of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The InChIKey is WSUJAXAAAQOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NOS.H2/c1-13(2,3)18(17)16-12-5-4-9-10(12)6-8(14)7-11(9)15;/h6-7,12,16H,4-5H2,1-3H3;1H.
What are the key properties of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen has a molecular weight of 275.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen is sourced from PubChem (CID 144905149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).