3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

C15H25N3O2S — CID 63161871

IUPAC3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cccnc2NC)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)13-7-6-10-17-14(13)16-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,16,17)
InChIKeyUVDHWBGXJGGODF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.71
Rot. Bonds5

About 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 63161871) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID63161871
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cccnc2NC)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)13-7-6-10-17-14(13)16-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,16,17)
InChIKeyUVDHWBGXJGGODF-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 63161871) is 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CCC1(CC)CCN(S(=O)(=O)c2cccnc2NC)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is UVDHWBGXJGGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)13-7-6-10-17-14(13)16-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,16,17).
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 63161871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).