1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine

C14H21BrN2O3S — CID 79873730

IUPAC1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)8-14(13)21(18,19)17-7-6-12(16)10(2)9-17/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3
InChIKeyWHJNGKKQINHKHV-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine

1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79873730) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79873730
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)8-14(13)21(18,19)17-7-6-12(16)10(2)9-17/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3
InChIKeyWHJNGKKQINHKHV-UHFFFAOYSA-N
XLogP2.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
CID 65245008
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 4280017
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2422378
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79873730) is 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine is CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is WHJNGKKQINHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)8-14(13)21(18,19)17-7-6-12(16)10(2)9-17/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 377.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79873730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).