2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine

C15H18N4O4S — CID 113012557

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(20,21)18-12-4-6-15(17-9-12)16-8-11-3-5-13-14(7-11)23-10-22-13/h3-7,9,18H,8,10H2,1-2H3,(H,16,17)
InChIKeyQHDJPMCVZDWITR-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.64
Rot. Bonds6

About 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine

2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine (PubChem CID 113012557) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
PubChem CID113012557
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H18N4O4S/c1-19(2)24(20,21)18-12-4-6-15(17-9-12)16-8-11-3-5-13-14(7-11)23-10-22-13/h3-7,9,18H,8,10H2,1-2H3,(H,16,17)
InChIKeyQHDJPMCVZDWITR-UHFFFAOYSA-N
XLogP1.64
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
CID 39179801
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
CID 18133007
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
4-amino-N-[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]butanamide
CID 82034218
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109157436
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine (CID 113012557) is 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine?
The InChIKey is QHDJPMCVZDWITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-19(2)24(20,21)18-12-4-6-15(17-9-12)16-8-11-3-5-13-14(7-11)23-10-22-13/h3-7,9,18H,8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine?
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine has a molecular weight of 350.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine is sourced from PubChem (CID 113012557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).