6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine

C10H14N2O4S — CID 95135138

IUPAC6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
SMILESC[C@@H](NS(N)(=O)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H14N2O4S/c1-7(12-17(11,13)14)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6-7,12H,4-5H2,1H3,(H2,11,13,14)/t7-/m1/s1
InChIKeyYTXSATWPAOQFAJ-SSDOTTSWSA-N
MW258.30 g/mol
LogP0.31
Rot. Bonds3

About 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine

6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 95135138) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID95135138
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
SMILESC[C@@H](NS(N)(=O)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H14N2O4S/c1-7(12-17(11,13)14)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6-7,12H,4-5H2,1H3,(H2,11,13,14)/t7-/m1/s1
InChIKeyYTXSATWPAOQFAJ-SSDOTTSWSA-N
XLogP0.31
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 107651412
3-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1-sulfonamide
CID 60959785
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188
N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
CID 22773282
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 133230316
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
2,3-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133165105

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine (CID 95135138) is 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine is C[C@@H](NS(N)(=O)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is YTXSATWPAOQFAJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7(12-17(11,13)14)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6-7,12H,4-5H2,1H3,(H2,11,13,14)/t7-/m1/s1.
What are the key properties of 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine?
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 258.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 95135138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).