4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline

C14H22N2OS — CID 115237955

IUPAC4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
SMILESCCSc1ccc(N(C)CC2COCCN2)cc1
InChIInChI=1S/C14H22N2OS/c1-3-18-14-6-4-13(5-7-14)16(2)10-12-11-17-9-8-15-12/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyLROKWGXJZVJYRV-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds5

About 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline

4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline (PubChem CID 115237955) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
PubChem CID115237955
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
SMILESCCSc1ccc(N(C)CC2COCCN2)cc1
InChIInChI=1S/C14H22N2OS/c1-3-18-14-6-4-13(5-7-14)16(2)10-12-11-17-9-8-15-12/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyLROKWGXJZVJYRV-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
3-[(4-ethylphenyl)sulfanylmethyl]morpholine
CID 117034341
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
N-methyl-N-(morpholin-3-ylmethyl)-1H-indol-3-amine
CID 115237942
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237974
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline?
The IUPAC name of 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline (CID 115237955) is 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline.
What is the SMILES notation for 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline?
The canonical SMILES for 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline is CCSc1ccc(N(C)CC2COCCN2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline?
The InChIKey is LROKWGXJZVJYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-18-14-6-4-13(5-7-14)16(2)10-12-11-17-9-8-15-12/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline?
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline has a molecular weight of 266.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline is sourced from PubChem (CID 115237955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).