5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline

C15H24N2S — CID 43302287

IUPAC5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
SMILESCc1ccc(SCCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N2S/c1-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17(13)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyQQLOYYQFIRBBSB-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.54
Rot. Bonds4

About 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline

5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline (PubChem CID 43302287) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline.

Molecular Properties

Compound Name5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
PubChem CID43302287
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
SMILESCc1ccc(SCCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N2S/c1-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17(13)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyQQLOYYQFIRBBSB-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
CID 154782778
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
CID 107914261
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
CID 66218738
5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
CID 167666538

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The IUPAC name of 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline (CID 43302287) is 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline.
What is the SMILES notation for 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The canonical SMILES for 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline is Cc1ccc(SCCC2CCCCN2C)c(N)c1.
What is the InChIKey of 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
The InChIKey is QQLOYYQFIRBBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17(13)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline?
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline has a molecular weight of 264.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline is sourced from PubChem (CID 43302287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).