1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine

C17H18N2S — CID 11818392

IUPAC1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2S/c1-19(2)12-13-7-3-6-10-16(13)20-17-11-18-15-9-5-4-8-14(15)17/h3-11,18H,12H2,1-2H3
InChIKeyFXSKEXHBCPXRRY-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.38
Rot. Bonds4

About 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine

1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 11818392) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
PubChem CID11818392
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2S/c1-19(2)12-13-7-3-6-10-16(13)20-17-11-18-15-9-5-4-8-14(15)17/h3-11,18H,12H2,1-2H3
InChIKeyFXSKEXHBCPXRRY-UHFFFAOYSA-N
XLogP4.38
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-4-iodo-5-methylphenol
CID 20817904
4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole
CID 138964423
4-[2-[(dimethylamino)methyl]phenyl]sulfanyl-3-(trifluoromethyl)benzenethiol
CID 171976740
3-methoxysulfanyl-1H-indole
CID 141186328
3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
CID 90957082
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-4-(123I)iodo(123I)aniline
CID 11859067
3-[(4-methylphenyl)methylsulfanyl]-1H-indole
CID 43949394
4-bromo-3-(2-ethylphenyl)sulfanyl-1H-indole
CID 91609343
1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 596799
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine (CID 11818392) is 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is FXSKEXHBCPXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-19(2)12-13-7-3-6-10-16(13)20-17-11-18-15-9-5-4-8-14(15)17/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine?
1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11818392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).