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

C15H25N3O2S — CID 103305907

IUPAC2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
SMILESCCC1(CC)CCN(S(=O)(=O)c2ncccc2NC)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)14-13(16-3)7-6-10-17-14/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyMGOVVNDMDCOPDU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.71
Rot. Bonds5

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

2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine (PubChem CID 103305907) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
PubChem CID103305907
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
SMILESCCC1(CC)CCN(S(=O)(=O)c2ncccc2NC)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)14-13(16-3)7-6-10-17-14/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyMGOVVNDMDCOPDU-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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Related Compounds

N-methyl-2-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 103303592
3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 63161871
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
CID 103302994
2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103305844
1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
CID 106837532
4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
CID 103306620
N-methyl-2-(2-methylmorpholin-4-yl)sulfonylpyridin-3-amine
CID 103303771
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine (CID 103305907) is 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine is CCC1(CC)CCN(S(=O)(=O)c2ncccc2NC)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine?
The InChIKey is MGOVVNDMDCOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-15(5-2)8-11-18(12-9-15)21(19,20)14-13(16-3)7-6-10-17-14/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine?
2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-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 2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine is sourced from PubChem (CID 103305907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).