5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine

C13H21N3O2S — CID 79993282

IUPAC5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)CCc2ccncc2)C1
InChIInChI=1S/C13H21N3O2S/c1-11-8-13(14)10-16(9-11)19(17,18)7-4-12-2-5-15-6-3-12/h2-3,5-6,11,13H,4,7-10,14H2,1H3
InChIKeyDMLHBXFBAPYWMV-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.62
Rot. Bonds4

About 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine

5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine (PubChem CID 79993282) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
PubChem CID79993282
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)CCc2ccncc2)C1
InChIInChI=1S/C13H21N3O2S/c1-11-8-13(14)10-16(9-11)19(17,18)7-4-12-2-5-15-6-3-12/h2-3,5-6,11,13H,4,7-10,14H2,1H3
InChIKeyDMLHBXFBAPYWMV-UHFFFAOYSA-N
XLogP0.62
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82687811
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
CID 79993272
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
1-(2-pyridin-4-ylethylsulfonyl)piperidine-3-carbaldehyde
CID 63845727
1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
CID 62734075
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
(2R,4R)-4-hydroxy-1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000827

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine (CID 79993282) is 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine is CC1CC(N)CN(S(=O)(=O)CCc2ccncc2)C1.
What is the InChIKey of 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine?
The InChIKey is DMLHBXFBAPYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-8-13(14)10-16(9-11)19(17,18)7-4-12-2-5-15-6-3-12/h2-3,5-6,11,13H,4,7-10,14H2,1H3.
What are the key properties of 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine?
5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine has a molecular weight of 283.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 79993282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).