4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

C15H24N2S — CID 115210239

IUPAC4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCSc1ccc(N(C)CCC2CCCN2)cc1
InChIInChI=1S/C15H24N2S/c1-3-18-15-8-6-14(7-9-15)17(2)12-10-13-5-4-11-16-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyRBJSQIJAZNHSRI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.38
Rot. Bonds6

About 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210239) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210239
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCCSc1ccc(N(C)CCC2CCCN2)cc1
InChIInChI=1S/C15H24N2S/c1-3-18-15-8-6-14(7-9-15)17(2)12-10-13-5-4-11-16-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyRBJSQIJAZNHSRI-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyrrolidin-2-ylethyl)-1H-pyrrol-3-amine
CID 115210229
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
CID 115211012
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
3-bromo-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210208
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210239) is 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is CCSc1ccc(N(C)CCC2CCCN2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is RBJSQIJAZNHSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-18-15-8-6-14(7-9-15)17(2)12-10-13-5-4-11-16-13/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 264.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).