(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

C11H17N3O5S2 — CID 164630740

IUPAC(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCOc1cnc(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)s1
InChIInChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyRJXPPYAZLVOLJN-MRVPVSSYSA-N
MW335.41 g/mol
LogP0.43
Rot. Bonds4

About (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide

(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (PubChem CID 164630740) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
PubChem CID164630740
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
SMILESCOc1cnc(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)s1
InChIInChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyRJXPPYAZLVOLJN-MRVPVSSYSA-N
XLogP0.43
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103065
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
1-(5-methoxy-1,3-thiazol-2-yl)-3-[(4-methylsulfonylcyclohexyl)methyl]urea
CID 138054346
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-(1,3-benzodioxol-5-yl)-1-[2-(methylsulfonylmethyl)morpholin-4-yl]ethanone
CID 136566973
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide (CID 164630740) is (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is COc1cnc(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)s1.
What is the InChIKey of (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
The InChIKey is RJXPPYAZLVOLJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-18-9-5-12-10(20-9)13-11(15)14-3-4-19-8(6-14)7-21(2,16)17/h5,8H,3-4,6-7H2,1-2H3,(H,12,13,15)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide?
(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164630740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).