[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol

C13H20BrN3O3S — CID 62163664

IUPAC[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H20BrN3O3S/c1-2-15-13-12(6-11(14)7-16-13)21(19,20)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyCZPHBQIVYQNOIM-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.67
Rot. Bonds5

About [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol

[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol (PubChem CID 62163664) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
PubChem CID62163664
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H20BrN3O3S/c1-2-15-13-12(6-11(14)7-16-13)21(19,20)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyCZPHBQIVYQNOIM-UHFFFAOYSA-N
XLogP1.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
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
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
CID 62147186
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
methyl 5-bromo-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 43589659
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251

Frequently Asked Questions

What is the IUPAC name of [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol (CID 62163664) is [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol is CCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol?
The InChIKey is CZPHBQIVYQNOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-2-15-13-12(6-11(14)7-16-13)21(19,20)17-5-3-4-10(8-17)9-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol?
[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol has a molecular weight of 378.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62163664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).