methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate

C20H29N3O6S — CID 42223979

IUPACmethyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1
InChIInChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25)/t14-,15+,16-/m0/s1
InChIKeyUVZSKYMVEDYOFL-XHSDSOJGSA-N
MW439.53 g/mol
LogP1.90
Rot. Bonds4

About methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 42223979) has the molecular formula C20H29N3O6S and a molecular weight of 439.53 g/mol. Its IUPAC name is methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate
PubChem CID42223979
Molecular FormulaC20H29N3O6S
Molecular Weight439.53 g/mol
Exact Mass439.18
IUPAC Namemethyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1
InChIInChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25)/t14-,15+,16-/m0/s1
InChIKeyUVZSKYMVEDYOFL-XHSDSOJGSA-N
XLogP1.90
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate with MolForge

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Related Compounds

methyl N-[4-[(3R)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190354
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
methyl N-[4-[(3R)-3-[methyl(phenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190338
N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 40900598
methyl N-[4-[(3R)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 6551868
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate (CID 42223979) is methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1.
What is the InChIKey of methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is UVZSKYMVEDYOFL-XHSDSOJGSA-N. The full InChI is InChI=1S/C20H29N3O6S/c1-14-11-22(12-15(2)29-14)19(24)16-5-4-10-23(13-16)30(26,27)18-8-6-17(7-9-18)21-20(25)28-3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,21,25)/t14-,15+,16-/m0/s1.
What are the key properties of methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 439.53 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 42223979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).