N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine

C13H18N2S — CID 116830387

IUPACN-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2S/c1-14-12(9-16-3)11-8-15(2)13-7-5-4-6-10(11)13/h4-8,12,14H,9H2,1-3H3
InChIKeyZUDHBRSOLOSMPE-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine

N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine (PubChem CID 116830387) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
PubChem CID116830387
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2S/c1-14-12(9-16-3)11-8-15(2)13-7-5-4-6-10(11)13/h4-8,12,14H,9H2,1-3H3
InChIKeyZUDHBRSOLOSMPE-UHFFFAOYSA-N
XLogP2.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
CID 116955537
1-methyl-3-propan-2-ylindole
CID 10942942
N-methyl-1-(1-methylindol-3-yl)-2-pyrrolidin-2-ylethanamine
CID 116951474
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine?
The IUPAC name of N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine (CID 116830387) is N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine is CNC(CSC)c1cn(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine?
The InChIKey is ZUDHBRSOLOSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-14-12(9-16-3)11-8-15(2)13-7-5-4-6-10(11)13/h4-8,12,14H,9H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine?
N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine has a molecular weight of 234.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).