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

C13H25N3O2S — CID 61453790

IUPAC1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H25N3O2S/c1-5-12-6-8-13(10-14,9-7-12)15-19(17,18)16(4)11(2)3/h11-12,15H,5-9H2,1-4H3
InChIKeyBSDIXTJOOGMMCZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.02
Rot. Bonds5

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

1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 61453790) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID61453790
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H25N3O2S/c1-5-12-6-8-13(10-14,9-7-12)15-19(17,18)16(4)11(2)3/h11-12,15H,5-9H2,1-4H3
InChIKeyBSDIXTJOOGMMCZ-UHFFFAOYSA-N
XLogP2.02
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 61453790) is 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CCC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is BSDIXTJOOGMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-12-6-8-13(10-14,9-7-12)15-19(17,18)16(4)11(2)3/h11-12,15H,5-9H2,1-4H3.
What are the key properties of 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 287.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 61453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).