3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane

C12H27N3O2S — CID 79358557

IUPAC3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane
SMILESCN(CCCN)S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H27N3O2S/c1-11(2)10(12(11,3)4)9-14-18(16,17)15(5)8-6-7-13/h10,14H,6-9,13H2,1-5H3
InChIKeyROASAIKBIHAJMT-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.78
Rot. Bonds7

About 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane

3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane (PubChem CID 79358557) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane.

Molecular Properties

Compound Name3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane
PubChem CID79358557
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane
SMILESCN(CCCN)S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H27N3O2S/c1-11(2)10(12(11,3)4)9-14-18(16,17)15(5)8-6-7-13/h10,14H,6-9,13H2,1-5H3
InChIKeyROASAIKBIHAJMT-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane?
The IUPAC name of 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane (CID 79358557) is 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane.
What is the SMILES notation for 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane?
The canonical SMILES for 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane is CN(CCCN)S(=O)(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane?
The InChIKey is ROASAIKBIHAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)10(12(11,3)4)9-14-18(16,17)15(5)8-6-7-13/h10,14H,6-9,13H2,1-5H3.
What are the key properties of 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane?
3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane has a molecular weight of 277.43 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1,1,2,2-tetramethylcyclopropane is sourced from PubChem (CID 79358557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).