N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline

C15H24N2O3S — CID 102964517

IUPACN-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C15H24N2O3S/c1-4-16-13-7-5-6-8-15(13)21(18,19)17-10-9-12(2)14(11-17)20-3/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyDUXQNTPXIXGEHJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline

N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 102964517) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
PubChem CID102964517
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C15H24N2O3S/c1-4-16-13-7-5-6-8-15(13)21(18,19)17-10-9-12(2)14(11-17)20-3/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyDUXQNTPXIXGEHJ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
CID 64583155
[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302177
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-3-methoxy-4-methylpiperidine
CID 102969021
1-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-N-methylmethanamine
CID 102971629
[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970770
[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66061654
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
CID 62143268
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102675663

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline (CID 102964517) is N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline is CCNc1ccccc1S(=O)(=O)N1CCC(C)C(OC)C1.
What is the InChIKey of N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is DUXQNTPXIXGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-16-13-7-5-6-8-15(13)21(18,19)17-10-9-12(2)14(11-17)20-3/h5-8,12,14,16H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline?
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 102964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).