6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide

C10H14N2O4S — CID 83272130

IUPAC6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide
SMILESCN(C)Cc1cc2c(c(S(N)(=O)=O)c1)OCO2
InChIInChI=1S/C10H14N2O4S/c1-12(2)5-7-3-8-10(16-6-15-8)9(4-7)17(11,13)14/h3-4H,5-6H2,1-2H3,(H2,11,13,14)
InChIKeySCNDVZQIHCHNBY-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.12
Rot. Bonds3

About 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide

6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide (PubChem CID 83272130) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide
PubChem CID83272130
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide
SMILESCN(C)Cc1cc2c(c(S(N)(=O)=O)c1)OCO2
InChIInChI=1S/C10H14N2O4S/c1-12(2)5-7-3-8-10(16-6-15-8)9(4-7)17(11,13)14/h3-4H,5-6H2,1-2H3,(H2,11,13,14)
InChIKeySCNDVZQIHCHNBY-UHFFFAOYSA-N
XLogP0.12
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-bromo-1,3-benzodioxol-5-yl)methanesulfonamide
CID 165443563
6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84707691
6-amino-1,3-benzodioxole-5-sulfonamide
CID 130018278
6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 83272082
2-[(7-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115640800
2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296103
4-bromo-6-ethyl-1,3-benzodioxole
CID 130065754
2-[(7-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]propan-1-ol
CID 113344617
N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
CID 3567719
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
6-sulfamoyl-1,3-benzodioxole-5-carboxylic acid
CID 18071334

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide?
The IUPAC name of 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide (CID 83272130) is 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide is CN(C)Cc1cc2c(c(S(N)(=O)=O)c1)OCO2.
What is the InChIKey of 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide?
The InChIKey is SCNDVZQIHCHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(2)5-7-3-8-10(16-6-15-8)9(4-7)17(11,13)14/h3-4H,5-6H2,1-2H3,(H2,11,13,14).
What are the key properties of 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide?
6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide is sourced from PubChem (CID 83272130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).