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

C13H20N2O2S — CID 43110377

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-8-15(9-10)18(16,17)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3
InChIKeyRDXOYFVIBPYVST-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.00
Rot. Bonds2

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

2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43110377) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43110377
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-8-15(9-10)18(16,17)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3
InChIKeyRDXOYFVIBPYVST-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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

2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
3-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993280
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652
4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 115944374
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
4-(3-amino-2-methylphenyl)sulfonylpiperazine-1-sulfonamide
CID 61125660
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline (CID 43110377) is 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline is Cc1c(N)cccc1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is RDXOYFVIBPYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-4-8-15(9-10)18(16,17)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43110377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).