ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine

C11H18N2O4S — CID 91396275

IUPACethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCC.NS(=O)(=O)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C9H12N2O4S.C2H6/c10-16(12,13)11-5-7-6-14-8-3-1-2-4-9(8)15-7;1-2/h1-4,7,11H,5-6H2,(H2,10,12,13);1-2H3/t7-;/m0./s1
InChIKeyGXBLLQVRBNMIFX-FJXQXJEOSA-N
MW274.34 g/mol
LogP0.65
Rot. Bonds3

About ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine

ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 91396275) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Nameethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID91396275
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCC.NS(=O)(=O)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C9H12N2O4S.C2H6/c10-16(12,13)11-5-7-6-14-8-3-1-2-4-9(8)15-7;1-2/h1-4,7,11H,5-6H2,(H2,10,12,13);1-2H3/t7-;/m0./s1
InChIKeyGXBLLQVRBNMIFX-FJXQXJEOSA-N
XLogP0.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethylbenzenesulfonamide
CID 51182528
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1-sulfonamide
CID 61250075
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 51169107
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(methylsulfamoyl)ethanamine
CID 70950703
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 99645862
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6931804
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 32940565
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 134040418
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
CID 51169116
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine (CID 91396275) is ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine is CC.NS(=O)(=O)NC[C@H]1COc2ccccc2O1.
What is the InChIKey of ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is GXBLLQVRBNMIFX-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12N2O4S.C2H6/c10-16(12,13)11-5-7-6-14-8-3-1-2-4-9(8)15-7;1-2/h1-4,7,11H,5-6H2,(H2,10,12,13);1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 274.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 91396275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).