5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine

C11H16BrN3O4S2 — CID 62147186

IUPAC5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16BrN3O4S2/c1-2-13-11-10(7-9(12)8-14-11)21(18,19)15-3-5-20(16,17)6-4-15/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyHJXIOVACESAAGW-UHFFFAOYSA-N
MW398.30 g/mol
LogP0.69
Rot. Bonds4

About 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine

5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine (PubChem CID 62147186) has the molecular formula C11H16BrN3O4S2 and a molecular weight of 398.30 g/mol. Its IUPAC name is 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
PubChem CID62147186
Molecular FormulaC11H16BrN3O4S2
Molecular Weight398.30 g/mol
Exact Mass396.98
IUPAC Name5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H16BrN3O4S2/c1-2-13-11-10(7-9(12)8-14-11)21(18,19)15-3-5-20(16,17)6-4-15/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyHJXIOVACESAAGW-UHFFFAOYSA-N
XLogP0.69
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 61300085
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626897
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370127
[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
CID 62163664
[5-bromo-3-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61301039
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61298747
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106836374
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine (CID 62147186) is 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine is CCNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine?
The InChIKey is HJXIOVACESAAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O4S2/c1-2-13-11-10(7-9(12)8-14-11)21(18,19)15-3-5-20(16,17)6-4-15/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine?
5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine has a molecular weight of 398.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62147186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).