5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine

C12H20N4O3S — CID 62151741

IUPAC5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCCOC1CCCN(S(=O)(=O)c2cnc(N)nc2)C1
InChIInChI=1S/C12H20N4O3S/c1-2-6-19-10-4-3-5-16(9-10)20(17,18)11-7-14-12(13)15-8-11/h7-8,10H,2-6,9H2,1H3,(H2,13,14,15)
InChIKeyPZLNCFWVOUQAEM-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.64
Rot. Bonds5

About 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine

5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine (PubChem CID 62151741) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
PubChem CID62151741
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCCOC1CCCN(S(=O)(=O)c2cnc(N)nc2)C1
InChIInChI=1S/C12H20N4O3S/c1-2-6-19-10-4-3-5-16(9-10)20(17,18)11-7-14-12(13)15-8-11/h7-8,10H,2-6,9H2,1H3,(H2,13,14,15)
InChIKeyPZLNCFWVOUQAEM-UHFFFAOYSA-N
XLogP0.64
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
CID 61170930
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 64600145
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
CID 61170931
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
1-(2-bromo-4-methylphenyl)sulfonyl-3-propoxypiperidine
CID 61169572
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516

Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine (CID 62151741) is 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine is CCCOC1CCCN(S(=O)(=O)c2cnc(N)nc2)C1.
What is the InChIKey of 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine?
The InChIKey is PZLNCFWVOUQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-6-19-10-4-3-5-16(9-10)20(17,18)11-7-14-12(13)15-8-11/h7-8,10H,2-6,9H2,1H3,(H2,13,14,15).
What are the key properties of 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine?
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 62151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).