N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine

C13H22N4O2S — CID 114596495

IUPACN-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2S/c1-9-5-10(2)11(3)17(8-9)20(18,19)12-6-15-13(14-4)16-7-12/h6-7,9-11H,5,8H2,1-4H3,(H,14,15,16)
InChIKeySHCIDUUBPSNHHP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine

N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine (PubChem CID 114596495) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
PubChem CID114596495
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2S/c1-9-5-10(2)11(3)17(8-9)20(18,19)12-6-15-13(14-4)16-7-12/h6-7,9-11H,5,8H2,1-4H3,(H,14,15,16)
InChIKeySHCIDUUBPSNHHP-UHFFFAOYSA-N
XLogP1.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62164699
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine
CID 62157440
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 79920449
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62152943
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62158231
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine (CID 114596495) is N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2CC(C)CC(C)C2C)cn1.
What is the InChIKey of N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The InChIKey is SHCIDUUBPSNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-5-10(2)11(3)17(8-9)20(18,19)12-6-15-13(14-4)16-7-12/h6-7,9-11H,5,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 114596495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).