N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine

C17H19N3S — CID 176862279

IUPACN,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Sc3ccccn3)cc12
InChIInChI=1S/C17H19N3S/c1-20(2)10-8-13-12-19-16-7-6-14(11-15(13)16)21-17-5-3-4-9-18-17/h3-7,9,11-12,19H,8,10H2,1-2H3
InChIKeyIKAPNOKMFBMAGL-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.82
Rot. Bonds5

About N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine (PubChem CID 176862279) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
PubChem CID176862279
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Sc3ccccn3)cc12
InChIInChI=1S/C17H19N3S/c1-20(2)10-8-13-12-19-16-7-6-14(11-15(13)16)21-17-5-3-4-9-18-17/h3-7,9,11-12,19H,8,10H2,1-2H3
InChIKeyIKAPNOKMFBMAGL-UHFFFAOYSA-N
XLogP3.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578423
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N,N-dimethyl-2-[5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1H-indol-3-yl]ethanamine
CID 23186435
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3,4-dihydropyrrol-2-one
CID 141267623
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
CID 69262700
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1H-imidazol-2-amine
CID 151022593

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine (CID 176862279) is N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine is CN(C)CCc1c[nH]c2ccc(Sc3ccccn3)cc12.
What is the InChIKey of N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine?
The InChIKey is IKAPNOKMFBMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-20(2)10-8-13-12-19-16-7-6-14(11-15(13)16)21-17-5-3-4-9-18-17/h3-7,9,11-12,19H,8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine has a molecular weight of 297.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 176862279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).