2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine

C11H20N4O2S — CID 54952613

IUPAC2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
SMILESCC(NS(=O)(=O)N(C)CCCN)c1ccccn1
InChIInChI=1S/C11H20N4O2S/c1-10(11-6-3-4-8-13-11)14-18(16,17)15(2)9-5-7-12/h3-4,6,8,10,14H,5,7,9,12H2,1-2H3
InChIKeyMEWZGDRSZGNWPZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.26
Rot. Bonds7

About 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine

2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine (PubChem CID 54952613) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
PubChem CID54952613
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
SMILESCC(NS(=O)(=O)N(C)CCCN)c1ccccn1
InChIInChI=1S/C11H20N4O2S/c1-10(11-6-3-4-8-13-11)14-18(16,17)15(2)9-5-7-12/h3-4,6,8,10,14H,5,7,9,12H2,1-2H3
InChIKeyMEWZGDRSZGNWPZ-UHFFFAOYSA-N
XLogP0.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 112519052
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875
N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
CID 58997062
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The IUPAC name of 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine (CID 54952613) is 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine.
What is the SMILES notation for 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The canonical SMILES for 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine is CC(NS(=O)(=O)N(C)CCCN)c1ccccn1.
What is the InChIKey of 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The InChIKey is MEWZGDRSZGNWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10(11-6-3-4-8-13-11)14-18(16,17)15(2)9-5-7-12/h3-4,6,8,10,14H,5,7,9,12H2,1-2H3.
What are the key properties of 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine?
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine has a molecular weight of 272.37 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine is sourced from PubChem (CID 54952613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).