N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline

C15H24N2O3S — CID 106588733

IUPACN-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(COC)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-14-6-8-15(9-7-14)21(18,19)17-10-4-5-13(11-17)12-20-2/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyCFHMQRSXYSKLQV-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.17
Rot. Bonds6

About N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline

N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline (PubChem CID 106588733) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
PubChem CID106588733
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(COC)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-14-6-8-15(9-7-14)21(18,19)17-10-4-5-13(11-17)12-20-2/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyCFHMQRSXYSKLQV-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
[5-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyrimidin-2-yl]hydrazine
CID 106587539
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The IUPAC name of N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline (CID 106588733) is N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline.
What is the SMILES notation for N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The canonical SMILES for N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline is CCNc1ccc(S(=O)(=O)N2CCCC(COC)C2)cc1.
What is the InChIKey of N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
The InChIKey is CFHMQRSXYSKLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-16-14-6-8-15(9-7-14)21(18,19)17-10-4-5-13(11-17)12-20-2/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline?
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline is sourced from PubChem (CID 106588733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).