(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride

C14H28ClN3O4S — CID 120922485

IUPAC(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-3-10-22(19,20)17-7-4-12(5-8-17)16-14(18)13-11(2)21-9-6-15-13;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,13+;/m1./s1
InChIKeyOWXIJUGAZXBNEZ-YLAFAASESA-N
MW369.92 g/mol
LogP0.11
Rot. Bonds5

About (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120922485) has the molecular formula C14H28ClN3O4S and a molecular weight of 369.92 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID120922485
Molecular FormulaC14H28ClN3O4S
Molecular Weight369.92 g/mol
Exact Mass369.15
IUPAC Name(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-3-10-22(19,20)17-7-4-12(5-8-17)16-14(18)13-11(2)21-9-6-15-13;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,13+;/m1./s1
InChIKeyOWXIJUGAZXBNEZ-YLAFAASESA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939379
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779102
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 120942686
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride (CID 120922485) is (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride is CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is OWXIJUGAZXBNEZ-YLAFAASESA-N. The full InChI is InChI=1S/C14H27N3O4S.ClH/c1-3-10-22(19,20)17-7-4-12(5-8-17)16-14(18)13-11(2)21-9-6-15-13;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,13+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 0.11, 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-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120922485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).