2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane

C12H27N3O2S — CID 54952352

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane
SMILESCN(CCCN)S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-15(11-5-9-13)18(16,17)14-10-8-12-6-3-2-4-7-12/h12,14H,2-11,13H2,1H3
InChIKeyIKQKDBCYRIXINS-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds8

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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane (PubChem CID 54952352) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane
PubChem CID54952352
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane
SMILESCN(CCCN)S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-15(11-5-9-13)18(16,17)14-10-8-12-6-3-2-4-7-12/h12,14H,2-11,13H2,1H3
InChIKeyIKQKDBCYRIXINS-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane (CID 54952352) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane is CN(CCCN)S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane?
The InChIKey is IKQKDBCYRIXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-15(11-5-9-13)18(16,17)14-10-8-12-6-3-2-4-7-12/h12,14H,2-11,13H2,1H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane is sourced from PubChem (CID 54952352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).