(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide

C12H22N2O4S — CID 120937578

IUPAC(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1
InChIInChI=1S/C12H22N2O4S/c1-9-11(13-4-6-18-9)12(15)14-5-7-19(16,17)8-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyGTUAXHRVSJJHEY-KOLCDFICSA-N
MW290.39 g/mol
LogP-0.70
Rot. Bonds6

About (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120937578) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120937578
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1
InChIInChI=1S/C12H22N2O4S/c1-9-11(13-4-6-18-9)12(15)14-5-7-19(16,17)8-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyGTUAXHRVSJJHEY-KOLCDFICSA-N
XLogP-0.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
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)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
(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
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120937578) is (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCS(=O)(=O)CC1CC1.
What is the InChIKey of (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is GTUAXHRVSJJHEY-KOLCDFICSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9-11(13-4-6-18-9)12(15)14-5-7-19(16,17)8-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(cyclopropylmethylsulfonyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120937578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).