(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C16H28ClN3O4S2 — CID 120931321

IUPAC(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-4-19(5-2)25(21,22)14-7-6-13(24-14)8-9-18-16(20)15-12(3)23-11-10-17-15;/h6-7,12,15,17H,4-5,8-11H2,1-3H3,(H,18,20);1H/t12-,15+;/m1./s1
InChIKeyWKDVEJUOPUXYKW-YLCXCWDSSA-N
MW426.00 g/mol
LogP1.24
Rot. Bonds8

About (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120931321) has the molecular formula C16H28ClN3O4S2 and a molecular weight of 426.00 g/mol. Its IUPAC name is (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120931321
Molecular FormulaC16H28ClN3O4S2
Molecular Weight426.00 g/mol
Exact Mass425.12
IUPAC Name(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-4-19(5-2)25(21,22)14-7-6-13(24-14)8-9-18-16(20)15-12(3)23-11-10-17-15;/h6-7,12,15,17H,4-5,8-11H2,1-3H3,(H,18,20);1H/t12-,15+;/m1./s1
InChIKeyWKDVEJUOPUXYKW-YLCXCWDSSA-N
XLogP1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120920550
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918311
1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119319144
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120919058
(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935409
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940497
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120931321) is (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl.
What is the InChIKey of (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is WKDVEJUOPUXYKW-YLCXCWDSSA-N. The full InChI is InChI=1S/C16H27N3O4S2.ClH/c1-4-19(5-2)25(21,22)14-7-6-13(24-14)8-9-18-16(20)15-12(3)23-11-10-17-15;/h6-7,12,15,17H,4-5,8-11H2,1-3H3,(H,18,20);1H/t12-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).