2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline

C15H24N2OS — CID 107914391

IUPAC2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
SMILESCc1cc(S(=O)CCC2CCCCN2C)ccc1N
InChIInChI=1S/C15H24N2OS/c1-12-11-14(6-7-15(12)16)19(18)10-8-13-5-3-4-9-17(13)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyQWNQYQZBEUNDQJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline

2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline (PubChem CID 107914391) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
PubChem CID107914391
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
SMILESCc1cc(S(=O)CCC2CCCCN2C)ccc1N
InChIInChI=1S/C15H24N2OS/c1-12-11-14(6-7-15(12)16)19(18)10-8-13-5-3-4-9-17(13)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyQWNQYQZBEUNDQJ-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.56
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

3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 114015315
3-bromo-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 107914518
2-fluoro-5-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]benzoic acid
CID 107913263
4-(cyclobutylmethylsulfinyl)-2-methylaniline
CID 81182664
4-(cyclopropylmethylsulfinyl)-2-methylaniline
CID 81182244
1-[2-(4-amino-3-methylphenyl)sulfinylethyl]imidazolidin-2-one
CID 81182331
4-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfonyl]aniline
CID 107914496
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910970
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline?
The IUPAC name of 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline (CID 107914391) is 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline.
What is the SMILES notation for 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline?
The canonical SMILES for 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline is Cc1cc(S(=O)CCC2CCCCN2C)ccc1N.
What is the InChIKey of 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline?
The InChIKey is QWNQYQZBEUNDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-11-14(6-7-15(12)16)19(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 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline?
2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline has a molecular weight of 280.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline is sourced from PubChem (CID 107914391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).