(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide

C15H21N3O4S — CID 120920707

IUPAC(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-14(16-7-9-22-11)15(19)17-12-3-5-13(6-4-12)18-8-2-10-23(18,20)21/h3-6,11,14,16H,2,7-10H2,1H3,(H,17,19)/t11-,14+/m1/s1
InChIKeySOAHJWAAECLEQE-RISCZKNCSA-N
MW339.42 g/mol
LogP0.54
Rot. Bonds3

About (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120920707) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120920707
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-14(16-7-9-22-11)15(19)17-12-3-5-13(6-4-12)18-8-2-10-23(18,20)21/h3-6,11,14,16H,2,7-10H2,1H3,(H,17,19)/t11-,14+/m1/s1
InChIKeySOAHJWAAECLEQE-RISCZKNCSA-N
XLogP0.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperidine-3-carboxamide
CID 119276641
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119276619
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120920707) is (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is SOAHJWAAECLEQE-RISCZKNCSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-14(16-7-9-22-11)15(19)17-12-3-5-13(6-4-12)18-8-2-10-23(18,20)21/h3-6,11,14,16H,2,7-10H2,1H3,(H,17,19)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120920707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).