1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane

C13H25N3O2S — CID 61453860

IUPAC1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-10H2,1-3H3
InChIKeyDNCQIKYXEIQBQS-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.17
Rot. Bonds4

About 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane

1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane (PubChem CID 61453860) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane.

Molecular Properties

Compound Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
PubChem CID61453860
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-10H2,1-3H3
InChIKeyDNCQIKYXEIQBQS-UHFFFAOYSA-N
XLogP2.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane (CID 61453860) is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane.
What is the SMILES notation for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The canonical SMILES for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane is CC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The InChIKey is DNCQIKYXEIQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-10H2,1-3H3.
What are the key properties of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane has a molecular weight of 287.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane is sourced from PubChem (CID 61453860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).