(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide

C14H20N2O5S — CID 98775240

IUPAC(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@@H](C)CO1
InChIInChI=1S/C14H20N2O5S/c1-10-9-21-11(2)8-16(10)22(17,18)15-12-4-3-5-13-14(12)20-7-6-19-13/h3-5,10-11,15H,6-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJCUHHQLHMIGXTC-WDEREUQCSA-N
MW328.39 g/mol
LogP1.22
Rot. Bonds3

About (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide

(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide (PubChem CID 98775240) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide
PubChem CID98775240
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@@H](C)CO1
InChIInChI=1S/C14H20N2O5S/c1-10-9-21-11(2)8-16(10)22(17,18)15-12-4-3-5-13-14(12)20-7-6-19-13/h3-5,10-11,15H,6-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJCUHHQLHMIGXTC-WDEREUQCSA-N
XLogP1.22
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 65853
Eltoprazine hydrochloride
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(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperidin-4-ylmethyl]-amine
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1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-ethyl-piperazine
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1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-methyl-piperazine
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1-(2-Methyl-benzo[1,4]dioxin-5-yl)-piperazine
CID 44301480
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide (CID 98775240) is (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide?
The InChIKey is JCUHHQLHMIGXTC-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10-9-21-11(2)8-16(10)22(17,18)15-12-4-3-5-13-14(12)20-7-6-19-13/h3-5,10-11,15H,6-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide?
(2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,5-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 98775240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).