(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide

C12H23N3O4S — CID 94030377

IUPAC(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C12H23N3O4S/c1-10-9-14(7-8-19-10)12(16)13-11-3-5-15(6-4-11)20(2,17)18/h10-11H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyWGCSKYCLBGRGPE-SNVBAGLBSA-N
MW305.40 g/mol
LogP-0.16
Rot. Bonds2

About (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide

(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide (PubChem CID 94030377) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
PubChem CID94030377
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C12H23N3O4S/c1-10-9-14(7-8-19-10)12(16)13-11-3-5-15(6-4-11)20(2,17)18/h10-11H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyWGCSKYCLBGRGPE-SNVBAGLBSA-N
XLogP-0.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168195
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
CID 115760659
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55793416
(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
CID 94120610
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide (CID 94030377) is (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1.
What is the InChIKey of (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide?
The InChIKey is WGCSKYCLBGRGPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-10-9-14(7-8-19-10)12(16)13-11-3-5-15(6-4-11)20(2,17)18/h10-11H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide?
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 94030377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).