2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline

C14H22N2O2S — CID 43109484

IUPAC2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2)cc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-5-4-6-16(9-10)19(17,18)13-7-11(2)12(3)14(15)8-13/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyNOOKTOAITLPAAY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.31
Rot. Bonds2

About 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline

2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43109484) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43109484
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2)cc(N)c1C
InChIInChI=1S/C14H22N2O2S/c1-10-5-4-6-16(9-10)19(17,18)13-7-11(2)12(3)14(15)8-13/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyNOOKTOAITLPAAY-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.31
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-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
CID 43100497
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 43502770
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-(3-methylpiperidin-1-yl)sulfonyl-2-(trifluoromethyl)aniline
CID 170459184
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline (CID 43109484) is 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline is Cc1cc(S(=O)(=O)N2CCCC(C)C2)cc(N)c1C.
What is the InChIKey of 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is NOOKTOAITLPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-4-6-16(9-10)19(17,18)13-7-11(2)12(3)14(15)8-13/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline?
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43109484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).