3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol

C12H19N3O3S — CID 114681627

IUPAC3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCNc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cn1
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(6-5-11(9)16)19(17,18)10-3-4-12(13-2)14-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyOWOYYXXKYUUXLQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.51
Rot. Bonds3

About 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol

3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol (PubChem CID 114681627) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
PubChem CID114681627
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCNc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cn1
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(6-5-11(9)16)19(17,18)10-3-4-12(13-2)14-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyOWOYYXXKYUUXLQ-UHFFFAOYSA-N
XLogP0.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 55158021
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 63175065
N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66369934
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770383
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
N-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62157663
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol (CID 114681627) is 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol is CNc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cn1.
What is the InChIKey of 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The InChIKey is OWOYYXXKYUUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-8-15(6-5-11(9)16)19(17,18)10-3-4-12(13-2)14-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol has a molecular weight of 285.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol is sourced from PubChem (CID 114681627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).