N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide

C18H22N2O2S — CID 135295654

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
SMILESCCN(CC(O)Cn1c2ccccc2c2ccccc21)S(C)=O
InChIInChI=1S/C18H22N2O2S/c1-3-19(23(2)22)12-14(21)13-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyUUPDGFFTKMFPPM-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.77
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide (PubChem CID 135295654) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
PubChem CID135295654
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
SMILESCCN(CC(O)Cn1c2ccccc2c2ccccc21)S(C)=O
InChIInChI=1S/C18H22N2O2S/c1-3-19(23(2)22)12-14(21)13-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyUUPDGFFTKMFPPM-UHFFFAOYSA-N
XLogP2.77
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
CID 135295627
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide
CID 135295637
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate
CID 135295626
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
CID 135295554
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
CID 110929658
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide (CID 135295654) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide is CCN(CC(O)Cn1c2ccccc2c2ccccc21)S(C)=O.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide?
The InChIKey is UUPDGFFTKMFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-19(23(2)22)12-14(21)13-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14,21H,3,12-13H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide has a molecular weight of 330.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide is sourced from PubChem (CID 135295654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).