1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

C12H27N3O2S — CID 54947723

IUPAC1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCCNC1CCC(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-13-11-6-8-12(9-7-11)14-18(16,17)15(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyFELJAWOJYDYHGX-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.08
Rot. Bonds6

About 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 54947723) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID54947723
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCCNC1CCC(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-13-11-6-8-12(9-7-11)14-18(16,17)15(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyFELJAWOJYDYHGX-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 54947723) is 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CCNC1CCC(NS(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is FELJAWOJYDYHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-5-13-11-6-8-12(9-7-11)14-18(16,17)15(4)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 54947723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).