1-cyano-1-(dimethylsulfamoylamino)cycloheptane

C10H19N3O2S — CID 61121911

IUPAC1-cyano-1-(dimethylsulfamoylamino)cycloheptane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-8H2,1-2H3
InChIKeyBVEAPJIQMCQKOB-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.00
Rot. Bonds3

About 1-cyano-1-(dimethylsulfamoylamino)cycloheptane

1-cyano-1-(dimethylsulfamoylamino)cycloheptane (PubChem CID 61121911) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)cycloheptane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)cycloheptane
PubChem CID61121911
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)cycloheptane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-8H2,1-2H3
InChIKeyBVEAPJIQMCQKOB-UHFFFAOYSA-N
XLogP1.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
5-(Dimethylsulfamoylamino)-5-methyldodecane
CID 130356012
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
1-Amino-1-[(dimethylsulfamoylamino)methyl]cycloheptane
CID 43598295
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
N-(1-cyanocycloheptyl)methanesulfonamide
CID 61123103
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
CID 61123301
1-Cyano-1-(dimethylsulfamoylamino)cyclohexane
CID 61123479
N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
CID 61123502
N-(1-cyanocycloheptyl)-3-methylpiperidine-1-sulfonamide
CID 61123699
N-(1-cyanocycloheptyl)azepane-1-sulfonamide
CID 61124102
1-Cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
CID 61124292

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)cycloheptane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)cycloheptane (CID 61121911) is 1-cyano-1-(dimethylsulfamoylamino)cycloheptane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)cycloheptane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)cycloheptane is CN(C)S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)cycloheptane?
The InChIKey is BVEAPJIQMCQKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-8H2,1-2H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)cycloheptane?
1-cyano-1-(dimethylsulfamoylamino)cycloheptane has a molecular weight of 245.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)cycloheptane is sourced from PubChem (CID 61121911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).