(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide

C11H20N2O2S — CID 120929940

IUPAC(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCSCC1
InChIInChI=1S/C11H20N2O2S/c1-8-10(12-4-5-15-8)11(14)13-9-2-6-16-7-3-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeySRPUZQOCSXWNQP-SCZZXKLOSA-N
MW244.36 g/mol
LogP0.38
Rot. Bonds2

About (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide (PubChem CID 120929940) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
PubChem CID120929940
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCSCC1
InChIInChI=1S/C11H20N2O2S/c1-8-10(12-4-5-15-8)11(14)13-9-2-6-16-7-3-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeySRPUZQOCSXWNQP-SCZZXKLOSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide (CID 120929940) is (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCSCC1.
What is the InChIKey of (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide?
The InChIKey is SRPUZQOCSXWNQP-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8-10(12-4-5-15-8)11(14)13-9-2-6-16-7-3-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120929940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).