(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C15H21ClN2O2S — CID 120918838

IUPAC(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCSc2ccccc21.Cl
InChIInChI=1S/C15H20N2O2S.ClH/c1-10-14(16-7-8-19-10)15(18)17-12-6-9-20-13-5-3-2-4-11(12)13;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H/t10-,12?,14+;/m1./s1
InChIKeyRJRZLAGOSSZECK-CYBSPVAHSA-N
MW328.87 g/mol
LogP2.14
Rot. Bonds2

About (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918838) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918838
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCSc2ccccc21.Cl
InChIInChI=1S/C15H20N2O2S.ClH/c1-10-14(16-7-8-19-10)15(18)17-12-6-9-20-13-5-3-2-4-11(12)13;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H/t10-,12?,14+;/m1./s1
InChIKeyRJRZLAGOSSZECK-CYBSPVAHSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120922098
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120918838) is (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CCSc2ccccc21.Cl.
What is the InChIKey of (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is RJRZLAGOSSZECK-CYBSPVAHSA-N. The full InChI is InChI=1S/C15H20N2O2S.ClH/c1-10-14(16-7-8-19-10)15(18)17-12-6-9-20-13-5-3-2-4-11(12)13;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H/t10-,12?,14+;/m1./s1.
What are the key properties of (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).