4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline

C16H26N2O2S — CID 103505048

IUPAC4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-13-5-6-15(17)11-16(13)21(19,20)18-9-7-14(8-10-18)12(2)3/h5-6,11-12,14H,4,7-10,17H2,1-3H3
InChIKeyXBWOOWJEQKAHLO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.89
Rot. Bonds4

About 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline

4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (PubChem CID 103505048) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
PubChem CID103505048
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-13-5-6-15(17)11-16(13)21(19,20)18-9-7-14(8-10-18)12(2)3/h5-6,11-12,14H,4,7-10,17H2,1-3H3
InChIKeyXBWOOWJEQKAHLO-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 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 ≤ 52.89
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-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754
3-(azepan-1-ylsulfonyl)-4-ethylaniline
CID 43255737
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
3-chloro-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505020
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835153
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
4-ethyl-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407862
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203
3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (CID 103505048) is 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline is CCc1ccc(N)cc1S(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The InChIKey is XBWOOWJEQKAHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-13-5-6-15(17)11-16(13)21(19,20)18-9-7-14(8-10-18)12(2)3/h5-6,11-12,14H,4,7-10,17H2,1-3H3.
What are the key properties of 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 103505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).