2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine

C15H25N3O2S — CID 103305844

IUPAC2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-9-16-13-6-5-10-17-14(13)21(19,20)18-11-7-15(2,3)8-12-18/h5-6,10,16H,4,7-9,11-12H2,1-3H3
InChIKeyQCJUKPJFQMYQPK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.71
Rot. Bonds5

About 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine

2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine (PubChem CID 103305844) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
PubChem CID103305844
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-9-16-13-6-5-10-17-14(13)21(19,20)18-11-7-15(2,3)8-12-18/h5-6,10,16H,4,7-9,11-12H2,1-3H3
InChIKeyQCJUKPJFQMYQPK-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

4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
CID 103306620
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
CID 103304816
2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
CID 103305907
2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
CID 103307678
2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103306947
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine (CID 103305844) is 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine is CCCNc1cccnc1S(=O)(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The InChIKey is QCJUKPJFQMYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-9-16-13-6-5-10-17-14(13)21(19,20)18-11-7-15(2,3)8-12-18/h5-6,10,16H,4,7-9,11-12H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-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-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine is sourced from PubChem (CID 103305844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).