N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

C19H32N4O4S2 — CID 55758579

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)C1
InChIInChI=1S/C19H32N4O4S2/c1-4-8-29(25,26)23-7-5-6-16(11-23)18(24)21-19-20-17(13-28-19)12-22-9-14(2)27-15(3)10-22/h13-16H,4-12H2,1-3H3,(H,20,21,24)
InChIKeyPJBWWGLVUSDAMB-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.14
Rot. Bonds7

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55758579) has the molecular formula C19H32N4O4S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55758579
Molecular FormulaC19H32N4O4S2
Molecular Weight444.62 g/mol
Exact Mass444.19
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)C1
InChIInChI=1S/C19H32N4O4S2/c1-4-8-29(25,26)23-7-5-6-16(11-23)18(24)21-19-20-17(13-28-19)12-22-9-14(2)27-15(3)10-22/h13-16H,4-12H2,1-3H3,(H,20,21,24)
InChIKeyPJBWWGLVUSDAMB-UHFFFAOYSA-N
XLogP2.14
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55923041
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51324227
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55507724
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966007
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
CID 25335294
5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30202076
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 55527354
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
2-butylsulfanyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 60546760

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55758579) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)C1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is PJBWWGLVUSDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S2/c1-4-8-29(25,26)23-7-5-6-16(11-23)18(24)21-19-20-17(13-28-19)12-22-9-14(2)27-15(3)10-22/h13-16H,4-12H2,1-3H3,(H,20,21,24).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55758579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).