3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine

C12H19N3O2S — CID 104968731

IUPAC3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnccc1N
InChIInChI=1S/C12H19N3O2S/c1-9-4-3-5-10(2)15(9)18(16,17)12-8-14-7-6-11(12)13/h6-10H,3-5H2,1-2H3,(H2,13,14)/t9-,10+
InChIKeySSDZICFIQDBQQZ-AOOOYVTPSA-N
MW269.37 g/mol
LogP1.62
Rot. Bonds2

About 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine (PubChem CID 104968731) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
PubChem CID104968731
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnccc1N
InChIInChI=1S/C12H19N3O2S/c1-9-4-3-5-10(2)15(9)18(16,17)12-8-14-7-6-11(12)13/h6-10H,3-5H2,1-2H3,(H2,13,14)/t9-,10+
InChIKeySSDZICFIQDBQQZ-AOOOYVTPSA-N
XLogP1.62
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
BM-960102
CID 819349
4-Hydrazinylpyridine-3-sulfonamide
CID 12554666
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N-3-Pyridylbenzenesulfonamide
CID 339079
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide
CID 46704077
4-(Methylhydrazino)-3-pyridinesulfonamide
CID 46704078
4-Ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10608635
N-isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxamide
CID 1214480

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine (CID 104968731) is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnccc1N.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine?
The InChIKey is SSDZICFIQDBQQZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-4-3-5-10(2)15(9)18(16,17)12-8-14-7-6-11(12)13/h6-10H,3-5H2,1-2H3,(H2,13,14)/t9-,10+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine?
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine is sourced from PubChem (CID 104968731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).