N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline

C16H26N2O2S — CID 107328540

IUPACN-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-5-17-15-9-13(3)16(14(4)10-15)21(19,20)18-8-6-7-12(2)11-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyTUMIGJFTNCMYRV-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline

N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 107328540) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID107328540
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-5-17-15-9-13(3)16(14(4)10-15)21(19,20)18-8-6-7-12(2)11-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyTUMIGJFTNCMYRV-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865643
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
[4-(3,4-dimethylpiperidin-1-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107328179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline (CID 107328540) is N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline is CCNc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1.
What is the InChIKey of N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is TUMIGJFTNCMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-17-15-9-13(3)16(14(4)10-15)21(19,20)18-8-6-7-12(2)11-18/h9-10,12,17H,5-8,11H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline?
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 107328540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).