N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide

C24H30N2O2S — CID 135295637

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C24H30N2O2S/c1-29(28)25(14-19-13-17-10-11-18(19)12-17)15-20(27)16-26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26/h2-9,17-20,27H,10-16H2,1H3
InChIKeyIDLWFRRKACUBRP-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.19
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide (PubChem CID 135295637) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide
PubChem CID135295637
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C24H30N2O2S/c1-29(28)25(14-19-13-17-10-11-18(19)12-17)15-20(27)16-26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26/h2-9,17-20,27H,10-16H2,1H3
InChIKeyIDLWFRRKACUBRP-UHFFFAOYSA-N
XLogP4.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide with MolForge

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Related Compounds

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
CID 135295654
methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate
CID 135295626
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
CID 135295554
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
CID 110929658
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide (CID 135295637) is N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide is CS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide?
The InChIKey is IDLWFRRKACUBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-29(28)25(14-19-13-17-10-11-18(19)12-17)15-20(27)16-26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26/h2-9,17-20,27H,10-16H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide has a molecular weight of 410.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide is sourced from PubChem (CID 135295637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).