2-ethylsulfanyl-N-methyl-2-phenylethanamine

C11H17NS — CID 62577533

IUPAC2-ethylsulfanyl-N-methyl-2-phenylethanamine
SMILESCCSC(CNC)c1ccccc1
InChIInChI=1S/C11H17NS/c1-3-13-11(9-12-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
InChIKeyNCKYLZUDGFVQOA-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.70
Rot. Bonds5

About 2-ethylsulfanyl-N-methyl-2-phenylethanamine

2-ethylsulfanyl-N-methyl-2-phenylethanamine (PubChem CID 62577533) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-2-phenylethanamine
PubChem CID62577533
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-ethylsulfanyl-N-methyl-2-phenylethanamine
SMILESCCSC(CNC)c1ccccc1
InChIInChI=1S/C11H17NS/c1-3-13-11(9-12-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
InChIKeyNCKYLZUDGFVQOA-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethylsulfanyl-3-methylbut-3-enyl)benzene
CID 142058363
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
ethyl 3-ethylsulfanyl-3-phenylpropanoate
CID 12663216
ethane;1-ethylsulfanylethylbenzene
CID 91185856
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
3-ethylsulfanyl-2-(methylamino)-3-phenylpropanoic acid
CID 153389510
[(1R)-1-methylsulfanylpropyl]benzene
CID 89360897
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
ethyl-[3-(methylamino)-2-phenylpropyl]tin(2+)
CID 19359485

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-2-phenylethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-2-phenylethanamine (CID 62577533) is 2-ethylsulfanyl-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-2-phenylethanamine is CCSC(CNC)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-2-phenylethanamine?
The InChIKey is NCKYLZUDGFVQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-13-11(9-12-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-2-phenylethanamine?
2-ethylsulfanyl-N-methyl-2-phenylethanamine has a molecular weight of 195.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-2-phenylethanamine is sourced from PubChem (CID 62577533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).