1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C24H34N6O3S — CID 50840619

IUPAC1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C24H34N6O3S/c1-17(2)18-6-8-19(9-7-18)34(32,33)20-16-27-23(28-21(20)25)29-14-10-24(11-15-29,22(26)31)30-12-4-3-5-13-30/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,31)(H2,25,27,28)
InChIKeyRVJVPSGXEPKULZ-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.33
Rot. Bonds6

About 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 50840619) has the molecular formula C24H34N6O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID50840619
Molecular FormulaC24H34N6O3S
Molecular Weight486.64 g/mol
Exact Mass486.24
IUPAC Name1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C24H34N6O3S/c1-17(2)18-6-8-19(9-7-18)34(32,33)20-16-27-23(28-21(20)25)29-14-10-24(11-15-29,22(26)31)30-12-4-3-5-13-30/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,31)(H2,25,27,28)
InChIKeyRVJVPSGXEPKULZ-UHFFFAOYSA-N
XLogP2.33
TPSA135.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 50840619) is 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc2N)cc1.
What is the InChIKey of 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is RVJVPSGXEPKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3S/c1-17(2)18-6-8-19(9-7-18)34(32,33)20-16-27-23(28-21(20)25)29-14-10-24(11-15-29,22(26)31)30-12-4-3-5-13-30/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,26,31)(H2,25,27,28).
What are the key properties of 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 50840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).