N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine

C19H23NO2S — CID 23696

IUPACN,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine
SMILESCN(C)CCS(=O)(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H23NO2S/c1-20(2)13-14-23(21,22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3
InChIKeyFBPBGTCESMMDQL-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.85
Rot. Bonds4

About N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine

N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine (PubChem CID 23696) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine
PubChem CID23696
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine
SMILESCN(C)CCS(=O)(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H23NO2S/c1-20(2)13-14-23(21,22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3
InChIKeyFBPBGTCESMMDQL-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3028320
Dothiepin sulfoxide
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CID 826587
N,N-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine
CID 73053501
Win 1161-3
CID 113831
Ethylamine, 2-((5H-dibenzo(a,d)cyclohepten-5-yl)sulfonyl)-N,N-dimethyl-
CID 23693
Ethylamine, N,N-dimethyl-2-(2-(diphenylmethylsulfonyl)ethoxy)-
CID 23695
Dibenzo(b,e)thiepin-delta(sup 11(6H)),gamma-propylamine, N,N-dimethyl-, 5,5-dioxide
CID 826585
Piperazine, 1-((5H-dibenzo(a,d)cyclohepten-5-yl)sulfonyl)-4-methyl-
CID 3051226
Piperidine, 4-(ethylsulfonyl)-1-methyl-4-phenyl-, hydrochloride
CID 3063884
(+/-)-2-(Benzhydrylsulfinyl)-N,N-dimethylethanamine
CID 4388867
3-Methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
CID 71858842

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine (CID 23696) is N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine is CN(C)CCS(=O)(=O)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine?
The InChIKey is FBPBGTCESMMDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-20(2)13-14-23(21,22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine?
N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine has a molecular weight of 329.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine is sourced from PubChem (CID 23696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).