(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide

C15H22N2O3S — CID 99105883

IUPAC(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NC[C@@H]2Cc3ccccc32)[C@@H](C)CO1
InChIInChI=1S/C15H22N2O3S/c1-11-10-20-12(2)9-17(11)21(18,19)16-8-14-7-13-5-3-4-6-15(13)14/h3-6,11-12,14,16H,7-10H2,1-2H3/t11-,12+,14-/m0/s1
InChIKeyRIBNJCLQWRVJLW-SCRDCRAPSA-N
MW310.42 g/mol
LogP1.27
Rot. Bonds4

About (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide

(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide (PubChem CID 99105883) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide
PubChem CID99105883
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NC[C@@H]2Cc3ccccc32)[C@@H](C)CO1
InChIInChI=1S/C15H22N2O3S/c1-11-10-20-12(2)9-17(11)21(18,19)16-8-14-7-13-5-3-4-6-15(13)14/h3-6,11-12,14,16H,7-10H2,1-2H3/t11-,12+,14-/m0/s1
InChIKeyRIBNJCLQWRVJLW-SCRDCRAPSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)propane-1-sulfonamide
CID 61384267
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-hydroxyethanesulfonamide
CID 79578516
(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide
CID 98775240
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 66409130
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanopropane-1-sulfonamide
CID 66408014
(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide
CID 124692525
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
1-(4-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61115929
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide (CID 99105883) is (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)NC[C@@H]2Cc3ccccc32)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The InChIKey is RIBNJCLQWRVJLW-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-10-20-12(2)9-17(11)21(18,19)16-8-14-7-13-5-3-4-6-15(13)14/h3-6,11-12,14,16H,7-10H2,1-2H3/t11-,12+,14-/m0/s1.
What are the key properties of (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide?
(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 99105883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).