1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane

C9H21N3O2S — CID 61456493

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane
SMILESCC(NS(=O)(=O)N(C)CCCN)C1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(9-4-5-9)11-15(13,14)12(2)7-3-6-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXAKNFOUPIVAULF-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds7

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane

1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane (PubChem CID 61456493) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane
PubChem CID61456493
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane
SMILESCC(NS(=O)(=O)N(C)CCCN)C1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(9-4-5-9)11-15(13,14)12(2)7-3-6-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXAKNFOUPIVAULF-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane (CID 61456493) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane is CC(NS(=O)(=O)N(C)CCCN)C1CC1.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane?
The InChIKey is XAKNFOUPIVAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(9-4-5-9)11-15(13,14)12(2)7-3-6-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane has a molecular weight of 235.35 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopropane is sourced from PubChem (CID 61456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).