(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C10H22ClN3O4S — CID 120924338

IUPAC(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)NCCNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C10H21N3O4S.ClH/c1-3-18(15,16)13-5-4-12-10(14)9-8(2)17-7-6-11-9;/h8-9,11,13H,3-7H2,1-2H3,(H,12,14);1H/t8-,9+;/m1./s1
InChIKeyJDCWASFWAJCNJH-RJUBDTSPSA-N
MW315.82 g/mol
LogP-1.16
Rot. Bonds6

About (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120924338) has the molecular formula C10H22ClN3O4S and a molecular weight of 315.82 g/mol. Its IUPAC name is (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120924338
Molecular FormulaC10H22ClN3O4S
Molecular Weight315.82 g/mol
Exact Mass315.10
IUPAC Name(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)NCCNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C10H21N3O4S.ClH/c1-3-18(15,16)13-5-4-12-10(14)9-8(2)17-7-6-11-9;/h8-9,11,13H,3-7H2,1-2H3,(H,12,14);1H/t8-,9+;/m1./s1
InChIKeyJDCWASFWAJCNJH-RJUBDTSPSA-N
XLogP-1.16
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120937578
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120928111
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940497

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120924338) is (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCS(=O)(=O)NCCNC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is JDCWASFWAJCNJH-RJUBDTSPSA-N. The full InChI is InChI=1S/C10H21N3O4S.ClH/c1-3-18(15,16)13-5-4-12-10(14)9-8(2)17-7-6-11-9;/h8-9,11,13H,3-7H2,1-2H3,(H,12,14);1H/t8-,9+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120924338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).