(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide

C13H25N3O4S — CID 95579009

IUPAC(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C[C@H](C)O1
InChIInChI=1S/C13H25N3O4S/c1-9-4-5-12(13(14)17)8-16(9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,11+,12-/m1/s1
InChIKeyRFTHEZPDTVESIR-WISYIIOYSA-N
MW319.43 g/mol
LogP-0.07
Rot. Bonds3

About (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 95579009) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID95579009
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C[C@H](C)O1
InChIInChI=1S/C13H25N3O4S/c1-9-4-5-12(13(14)17)8-16(9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,11+,12-/m1/s1
InChIKeyRFTHEZPDTVESIR-WISYIIOYSA-N
XLogP-0.07
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 54988855
1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 55207510
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
(3S,6R)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 124859756
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
benzyl 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperidine-2-carboxylate
CID 70127873
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018098

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide (CID 95579009) is (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide is C[C@@H]1CN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C[C@H](C)O1.
What is the InChIKey of (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is RFTHEZPDTVESIR-WISYIIOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-9-4-5-12(13(14)17)8-16(9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,11+,12-/m1/s1.
What are the key properties of (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).