3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline

C16H26N2O2S — CID 63157152

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2cc(N)cc(C)c2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-16(4)6-8-18(9-7-16)21(19,20)15-11-14(17)10-12(2)13(15)3/h10-11H,5-9,17H2,1-4H3
InChIKeyXLOAVWTUOACGDS-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline

3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline (PubChem CID 63157152) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
PubChem CID63157152
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2cc(N)cc(C)c2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-16(4)6-8-18(9-7-16)21(19,20)15-11-14(17)10-12(2)13(15)3/h10-11H,5-9,17H2,1-4H3
InChIKeyXLOAVWTUOACGDS-UHFFFAOYSA-N
XLogP3.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.09
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-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
CID 62733884
3,4-dimethyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419116
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79179857
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline (CID 63157152) is 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline is CCC1(C)CCN(S(=O)(=O)c2cc(N)cc(C)c2C)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The InChIKey is XLOAVWTUOACGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-16(4)6-8-18(9-7-16)21(19,20)15-11-14(17)10-12(2)13(15)3/h10-11H,5-9,17H2,1-4H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline has a molecular weight of 310.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline is sourced from PubChem (CID 63157152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).