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

C11H21N3O2S — CID 54947882

IUPAC1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-8H2,1-3H3
InChIKeyMWCAFBFCDDHMEN-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds4

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

1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 54947882) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID54947882
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-8H2,1-3H3
InChIKeyMWCAFBFCDDHMEN-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
[[Cyanomethyl(methyl)sulfamoyl]amino]methylcyclohexane
CID 144231011
[Methyl(3-methylhexan-3-ylsulfamoyl)amino]cyclohexane
CID 169963899
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-methylcyclohexane
CID 35431200
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane
CID 47171484
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane
CID 47185792
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
CID 54947099
1-(Aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947718
1-Amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
CID 54947728
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 54947882) is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC(C)N(C)S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is MWCAFBFCDDHMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-8H2,1-3H3.
What are the key properties of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 259.37 g/mol, XLogP of 1.39, 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]cyclohexane is sourced from PubChem (CID 54947882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).