5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine

C13H22N4O2S — CID 62930000

IUPAC5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCC(C)(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-4-14-12-15-9-11(10-16-12)20(18,19)17-7-5-13(2,3)6-8-17/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyTWTBSGVQHVQLRB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.72
Rot. Bonds4

About 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine

5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine (PubChem CID 62930000) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
PubChem CID62930000
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCC(C)(C)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-4-14-12-15-9-11(10-16-12)20(18,19)17-7-5-13(2,3)6-8-17/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyTWTBSGVQHVQLRB-UHFFFAOYSA-N
XLogP1.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62158336
[5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62932708
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
2-(ethylamino)-N-(1-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64688285
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
CID 83022830
2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
CID 62143446
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine (CID 62930000) is 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine is CCNc1ncc(S(=O)(=O)N2CCC(C)(C)CC2)cn1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The InChIKey is TWTBSGVQHVQLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-14-12-15-9-11(10-16-12)20(18,19)17-7-5-13(2,3)6-8-17/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine?
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 62930000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).