5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

C11H18N4O3S — CID 102964589

IUPAC5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCCC(OC)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-12-11-13-6-10(7-14-11)19(16,17)15-5-3-4-9(8-15)18-2/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyLICGFKPABFDDCO-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.32
Rot. Bonds4

About 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (PubChem CID 102964589) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
PubChem CID102964589
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCCC(OC)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-12-11-13-6-10(7-14-11)19(16,17)15-5-3-4-9(8-15)18-2/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyLICGFKPABFDDCO-UHFFFAOYSA-N
XLogP0.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 79920449
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
[5-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyrimidin-2-yl]hydrazine
CID 106587539
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 103535101
2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
CID 102971787
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62164699
5-(2-ethylmorpholin-4-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62146813

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (CID 102964589) is 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2CCCC(OC)C2)cn1.
What is the InChIKey of 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The InChIKey is LICGFKPABFDDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-12-11-13-6-10(7-14-11)19(16,17)15-5-3-4-9(8-15)18-2/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine has a molecular weight of 286.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 102964589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).