6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine

C12H18N2O4S — CID 110783509

IUPAC6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc2c(cc1CNS(=O)(=O)N(C)C)OCCO2
InChIInChI=1S/C12H18N2O4S/c1-9-6-11-12(18-5-4-17-11)7-10(9)8-13-19(15,16)14(2)3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyCUEXGOIOXQXWQP-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.66
Rot. Bonds4

About 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine

6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 110783509) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID110783509
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc2c(cc1CNS(=O)(=O)N(C)C)OCCO2
InChIInChI=1S/C12H18N2O4S/c1-9-6-11-12(18-5-4-17-11)7-10(9)8-13-19(15,16)14(2)3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyCUEXGOIOXQXWQP-UHFFFAOYSA-N
XLogP0.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-(methoxymethyl)-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115258553
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]acetonitrile
CID 115131005
N-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propan-2-amine
CID 117044190
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
CID 110780927
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789876
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789881
3-methyl-2-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]butane-1,2-diamine
CID 115138139

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine (CID 110783509) is 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine is Cc1cc2c(cc1CNS(=O)(=O)N(C)C)OCCO2.
What is the InChIKey of 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is CUEXGOIOXQXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-6-11-12(18-5-4-17-11)7-10(9)8-13-19(15,16)14(2)3/h6-7,13H,4-5,8H2,1-3H3.
What are the key properties of 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine?
6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 286.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylsulfamoylamino)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 110783509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).