(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C18H28ClN3O4S — CID 120920799

IUPAC(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-14-17(19-9-12-25-14)18(22)20-13-15-7-3-4-8-16(15)26(23,24)21-10-5-2-6-11-21;/h3-4,7-8,14,17,19H,2,5-6,9-13H2,1H3,(H,20,22);1H/t14-,17+;/m1./s1
InChIKeyJZIDYUYSXXOSLX-CVLQQERVSA-N
MW417.96 g/mol
LogP1.28
Rot. Bonds5

About (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120920799) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120920799
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-14-17(19-9-12-25-14)18(22)20-13-15-7-3-4-8-16(15)26(23,24)21-10-5-2-6-11-21;/h3-4,7-8,14,17,19H,2,5-6,9-13H2,1H3,(H,20,22);1H/t14-,17+;/m1./s1
InChIKeyJZIDYUYSXXOSLX-CVLQQERVSA-N
XLogP1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
CID 119888627
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 120920799) is (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is JZIDYUYSXXOSLX-CVLQQERVSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-14-17(19-9-12-25-14)18(22)20-13-15-7-3-4-8-16(15)26(23,24)21-10-5-2-6-11-21;/h3-4,7-8,14,17,19H,2,5-6,9-13H2,1H3,(H,20,22);1H/t14-,17+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).