2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol

C12H27N3O3S — CID 54994028

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol
SMILESCN(CCCN)S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H27N3O3S/c1-14(9-5-8-13)19(17,18)15(10-11-16)12-6-3-2-4-7-12/h12,16H,2-11,13H2,1H3
InChIKeyOBJYMBGODQHPPM-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.14
Rot. Bonds8

About 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol

2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol (PubChem CID 54994028) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol
PubChem CID54994028
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol
SMILESCN(CCCN)S(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H27N3O3S/c1-14(9-5-8-13)19(17,18)15(10-11-16)12-6-3-2-4-7-12/h12,16H,2-11,13H2,1H3
InChIKeyOBJYMBGODQHPPM-UHFFFAOYSA-N
XLogP0.14
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol (CID 54994028) is 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol is CN(CCCN)S(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol?
The InChIKey is OBJYMBGODQHPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-14(9-5-8-13)19(17,18)15(10-11-16)12-6-3-2-4-7-12/h12,16H,2-11,13H2,1H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol?
2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol has a molecular weight of 293.43 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol is sourced from PubChem (CID 54994028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).