[cyano-(diethylsulfamoylamino)methyl]cyclohexane

C12H23N3O2S — CID 61123927

IUPAC[cyano-(diethylsulfamoylamino)methyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-9H2,1-2H3
InChIKeyPELFXULHJWWBTA-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.64
Rot. Bonds6

About [cyano-(diethylsulfamoylamino)methyl]cyclohexane

[cyano-(diethylsulfamoylamino)methyl]cyclohexane (PubChem CID 61123927) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is [cyano-(diethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name[cyano-(diethylsulfamoylamino)methyl]cyclohexane
PubChem CID61123927
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name[cyano-(diethylsulfamoylamino)methyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-9H2,1-2H3
InChIKeyPELFXULHJWWBTA-UHFFFAOYSA-N
XLogP1.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [cyano-(diethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of [cyano-(diethylsulfamoylamino)methyl]cyclohexane (CID 61123927) is [cyano-(diethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for [cyano-(diethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for [cyano-(diethylsulfamoylamino)methyl]cyclohexane is CCN(CC)S(=O)(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of [cyano-(diethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is PELFXULHJWWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-9H2,1-2H3.
What are the key properties of [cyano-(diethylsulfamoylamino)methyl]cyclohexane?
[cyano-(diethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-(diethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 61123927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).