4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

C19H26N6O5S2 — CID 54586040

IUPAC4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C19H26N6O5S2/c20-32(28,29)25-9-6-16(7-10-25)22-19-21-8-5-18(23-19)15-1-3-17(4-2-15)31(26,27)24-11-13-30-14-12-24/h1-5,8,16H,6-7,9-14H2,(H2,20,28,29)(H,21,22,23)
InChIKeyOMXIAXJGEYOQEC-UHFFFAOYSA-N
MW482.59 g/mol
LogP0.24
Rot. Bonds6

About 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (PubChem CID 54586040) has the molecular formula C19H26N6O5S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
PubChem CID54586040
Molecular FormulaC19H26N6O5S2
Molecular Weight482.59 g/mol
Exact Mass482.14
IUPAC Name4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C19H26N6O5S2/c20-32(28,29)25-9-6-16(7-10-25)22-19-21-8-5-18(23-19)15-1-3-17(4-2-15)31(26,27)24-11-13-30-14-12-24/h1-5,8,16H,6-7,9-14H2,(H2,20,28,29)(H,21,22,23)
InChIKeyOMXIAXJGEYOQEC-UHFFFAOYSA-N
XLogP0.24
TPSA147.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide with MolForge

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Related Compounds

4-[[2-(Butylamino)-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792564
CID 145900912
CID 145900912
N-(4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 46882591
N,N-dimethyl-4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)benzenesulfonamide
CID 52944808
US9676721, 57 2-cyano-1-({4-[6-(morpholin-4-yl)pyridine-3-sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929356
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-pyridin-4-ylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea
CID 68842025
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[1-(Benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428564
N-[2-methyl-5-[2-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)ethynyl]-3-pyridinyl]benzenesulfonamide
CID 60141048
N-[5-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]benzenesulfonamide
CID 60141335
N-[2-methyl-5-[2-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-5-yl]ethynyl]-3-pyridinyl]benzenesulfonamide
CID 60141759

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The IUPAC name of 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (CID 54586040) is 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The canonical SMILES for 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1.
What is the InChIKey of 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The InChIKey is OMXIAXJGEYOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O5S2/c20-32(28,29)25-9-6-16(7-10-25)22-19-21-8-5-18(23-19)15-1-3-17(4-2-15)31(26,27)24-11-13-30-14-12-24/h1-5,8,16H,6-7,9-14H2,(H2,20,28,29)(H,21,22,23).
What are the key properties of 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide has a molecular weight of 482.59 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is sourced from PubChem (CID 54586040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).