3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline

C13H20N2O2S — CID 43255635

IUPAC3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-7-12(14)9-13(8-10)18(16,17)15-6-4-3-5-11(15)2/h7-9,11H,3-6,14H2,1-2H3
InChIKeyRKMPYJYUYHQVGE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.14
Rot. Bonds2

About 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline

3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43255635) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43255635
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-7-12(14)9-13(8-10)18(16,17)15-6-4-3-5-11(15)2/h7-9,11H,3-6,14H2,1-2H3
InChIKeyRKMPYJYUYHQVGE-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.14
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

1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
CID 43256117
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline (CID 43255635) is 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline is Cc1cc(N)cc(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is RKMPYJYUYHQVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-7-12(14)9-13(8-10)18(16,17)15-6-4-3-5-11(15)2/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline?
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43255635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).