2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine

C19H25N3O5S — CID 47065062

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H25N3O5S/c1-3-4-9-22(2)28(23,24)21-12-15-7-8-20-19(11-15)25-13-16-5-6-17-18(10-16)27-14-26-17/h5-8,10-11,21H,3-4,9,12-14H2,1-2H3
InChIKeyCWHOBVMOAYMWIH-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.46
Rot. Bonds10

About 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine

2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine (PubChem CID 47065062) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
PubChem CID47065062
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H25N3O5S/c1-3-4-9-22(2)28(23,24)21-12-15-7-8-20-19(11-15)25-13-16-5-6-17-18(10-16)27-14-26-17/h5-8,10-11,21H,3-4,9,12-14H2,1-2H3
InChIKeyCWHOBVMOAYMWIH-UHFFFAOYSA-N
XLogP2.46
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
CID 106062063
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(1,3-benzodioxol-5-ylmethyl)-4-butylbenzenesulfonamide
CID 19680671
N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 47042859
1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057976

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine (CID 47065062) is 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine is CCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine?
The InChIKey is CWHOBVMOAYMWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-3-4-9-22(2)28(23,24)21-12-15-7-8-20-19(11-15)25-13-16-5-6-17-18(10-16)27-14-26-17/h5-8,10-11,21H,3-4,9,12-14H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine?
2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine has a molecular weight of 407.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine is sourced from PubChem (CID 47065062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).