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

C10H18N4O3S — CID 112739513

IUPAC4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
SMILESCOc1cc(NS(=O)(=O)N(C)CCCN)ccn1
InChIInChI=1S/C10H18N4O3S/c1-14(7-3-5-11)18(15,16)13-9-4-6-12-10(8-9)17-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13)
InChIKeyWHUMWPBZNXOIFD-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.03
Rot. Bonds7

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

4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine (PubChem CID 112739513) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
PubChem CID112739513
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
SMILESCOc1cc(NS(=O)(=O)N(C)CCCN)ccn1
InChIInChI=1S/C10H18N4O3S/c1-14(7-3-5-11)18(15,16)13-9-4-6-12-10(8-9)17-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13)
InChIKeyWHUMWPBZNXOIFD-UHFFFAOYSA-N
XLogP0.03
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
CID 106062063
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
CID 62782128
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole
CID 114255737
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561

Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine?
The IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine (CID 112739513) is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine?
The canonical SMILES for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine is COc1cc(NS(=O)(=O)N(C)CCCN)ccn1.
What is the InChIKey of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine?
The InChIKey is WHUMWPBZNXOIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14(7-3-5-11)18(15,16)13-9-4-6-12-10(8-9)17-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13).
What are the key properties of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine?
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine has a molecular weight of 274.35 g/mol, XLogP of 0.03, 7 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]-2-methoxypyridine is sourced from PubChem (CID 112739513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).