4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline

C14H22N2O2S — CID 43584842

IUPAC4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(NC)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-12-5-4-10-16(11-12)19(17,18)14-8-6-13(15-2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyRIMWOWDAYLXQKA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.54
Rot. Bonds4

About 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline

4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline (PubChem CID 43584842) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
PubChem CID43584842
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(NC)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-12-5-4-10-16(11-12)19(17,18)14-8-6-13(15-2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyRIMWOWDAYLXQKA-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-(4-dodecylphenyl)sulfonyl-3-ethylpiperidine
CID 67670447
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline (CID 43584842) is 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline is CCC1CCCN(S(=O)(=O)c2ccc(NC)cc2)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline?
The InChIKey is RIMWOWDAYLXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-5-4-10-16(11-12)19(17,18)14-8-6-13(15-2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline?
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline is sourced from PubChem (CID 43584842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).