cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone

C16H19NO5S — CID 100743103

IUPACcyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1
InChIInChI=1S/C16H19NO5S/c1-23(20,21)14-5-3-2-4-12(14)16(19)17-8-9-22-13(10-17)15(18)11-6-7-11/h2-5,11,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyGMYLGQALKIBXAV-CYBMUJFWSA-N
MW337.40 g/mol
LogP0.91
Rot. Bonds4

About cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone

cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone (PubChem CID 100743103) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone
PubChem CID100743103
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namecyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1
InChIInChI=1S/C16H19NO5S/c1-23(20,21)14-5-3-2-4-12(14)16(19)17-8-9-22-13(10-17)15(18)11-6-7-11/h2-5,11,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyGMYLGQALKIBXAV-CYBMUJFWSA-N
XLogP0.91
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31305883
N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
CID 47080407
2-[4-(2-propylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248779
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
1-(2-methylsulfonylbenzoyl)aziridine-2-carbonitrile
CID 23461489
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
CID 124861275
(2-ethylsulfonylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 136578600

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone (CID 100743103) is cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone is CS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone?
The InChIKey is GMYLGQALKIBXAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-23(20,21)14-5-3-2-4-12(14)16(19)17-8-9-22-13(10-17)15(18)11-6-7-11/h2-5,11,13H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone?
cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone is sourced from PubChem (CID 100743103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).