4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine

C11H20N4O3S — CID 55142109

IUPAC4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
SMILESCOc1cc(CNS(=O)(=O)N(C)CCCN)ccn1
InChIInChI=1S/C11H20N4O3S/c1-15(7-3-5-12)19(16,17)14-9-10-4-6-13-11(8-10)18-2/h4,6,8,14H,3,5,7,9,12H2,1-2H3
InChIKeyQZJWKMWASFNMSL-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.29
Rot. Bonds8

About 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine

4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine (PubChem CID 55142109) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
PubChem CID55142109
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
SMILESCOc1cc(CNS(=O)(=O)N(C)CCCN)ccn1
InChIInChI=1S/C11H20N4O3S/c1-15(7-3-5-12)19(16,17)14-9-10-4-6-13-11(8-10)18-2/h4,6,8,14H,3,5,7,9,12H2,1-2H3
InChIKeyQZJWKMWASFNMSL-UHFFFAOYSA-N
XLogP-0.29
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
CID 106062063
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
CID 47065062
4-[[[2-methoxyethyl(methyl)sulfamoyl]amino]methyl]-2-(4-methylcyclohexyl)oxypyridine
CID 75464073
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine?
The IUPAC name of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine (CID 55142109) is 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine.
What is the SMILES notation for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine?
The canonical SMILES for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine is COc1cc(CNS(=O)(=O)N(C)CCCN)ccn1.
What is the InChIKey of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine?
The InChIKey is QZJWKMWASFNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-15(7-3-5-12)19(16,17)14-9-10-4-6-13-11(8-10)18-2/h4,6,8,14H,3,5,7,9,12H2,1-2H3.
What are the key properties of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine?
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine has a molecular weight of 288.37 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine is sourced from PubChem (CID 55142109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).