1-cyano-1-(diethylsulfamoylamino)cycloheptane

C12H23N3O2S — CID 61124695

IUPAC1-cyano-1-(diethylsulfamoylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-10H2,1-2H3
InChIKeyMKILCWCKZVWDEX-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.78
Rot. Bonds5

About 1-cyano-1-(diethylsulfamoylamino)cycloheptane

1-cyano-1-(diethylsulfamoylamino)cycloheptane (PubChem CID 61124695) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)cycloheptane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)cycloheptane
PubChem CID61124695
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyano-1-(diethylsulfamoylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-10H2,1-2H3
InChIKeyMKILCWCKZVWDEX-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
1-(Aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
CID 28940666
1-Amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane
CID 43598279
1-Amino-1-[(dimethylsulfamoylamino)methyl]cycloheptane
CID 43598295
1-Amino-1-[(diethylsulfamoylamino)methyl]cycloheptane
CID 43598297
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-Cyano-1-(diethylsulfamoylamino)cyclohexane
CID 60713524
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
CID 61123301
N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
CID 61123502

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cycloheptane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cycloheptane (CID 61124695) is 1-cyano-1-(diethylsulfamoylamino)cycloheptane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)cycloheptane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)cycloheptane is CCN(CC)S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)cycloheptane?
The InChIKey is MKILCWCKZVWDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-10H2,1-2H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)cycloheptane?
1-cyano-1-(diethylsulfamoylamino)cycloheptane has a molecular weight of 273.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(diethylsulfamoylamino)cycloheptane is sourced from PubChem (CID 61124695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).