N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline

C16H26N2O2S — CID 63162308

IUPACN-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCC(C)(CC)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-16(3)10-12-18(13-11-16)21(19,20)15-8-6-14(7-9-15)17-5-2/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyDUOKEMJXJXPCHM-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline

N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 63162308) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
PubChem CID63162308
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCC(C)(CC)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-16(3)10-12-18(13-11-16)21(19,20)15-8-6-14(7-9-15)17-5-2/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyDUOKEMJXJXPCHM-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81463975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline (CID 63162308) is N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline is CCNc1ccc(S(=O)(=O)N2CCC(C)(CC)CC2)cc1.
What is the InChIKey of N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is DUOKEMJXJXPCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(3)10-12-18(13-11-16)21(19,20)15-8-6-14(7-9-15)17-5-2/h6-9,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline?
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 63162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).