(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride

C12H20ClN3O4S2 — CID 120920550

IUPAC(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C12H19N3O4S2.ClH/c1-8-11(14-5-6-19-8)12(16)15-7-9-3-4-10(20-9)21(17,18)13-2;/h3-4,8,11,13-14H,5-7H2,1-2H3,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyTZIVSSRFVDNMOV-NINOIYOQSA-N
MW369.90 g/mol
LogP0.07
Rot. Bonds5

About (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120920550) has the molecular formula C12H20ClN3O4S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120920550
Molecular FormulaC12H20ClN3O4S2
Molecular Weight369.90 g/mol
Exact Mass369.06
IUPAC Name(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C12H19N3O4S2.ClH/c1-8-11(14-5-6-19-8)12(16)15-7-9-3-4-10(20-9)21(17,18)13-2;/h3-4,8,11,13-14H,5-7H2,1-2H3,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyTZIVSSRFVDNMOV-NINOIYOQSA-N
XLogP0.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931321
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119698683
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
CID 120926840
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride (CID 120920550) is (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride is CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is TZIVSSRFVDNMOV-NINOIYOQSA-N. The full InChI is InChI=1S/C12H19N3O4S2.ClH/c1-8-11(14-5-6-19-8)12(16)15-7-9-3-4-10(20-9)21(17,18)13-2;/h3-4,8,11,13-14H,5-7H2,1-2H3,(H,15,16);1H/t8-,11+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).