1-(methylsulfamoylamino)cycloheptane-1-carbonitrile

C9H17N3O2S — CID 114807713

IUPAC1-(methylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C9H17N3O2S/c1-11-15(13,14)12-9(8-10)6-4-2-3-5-7-9/h11-12H,2-7H2,1H3
InChIKeyINELECXVNSRQHV-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds3

About 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile

1-(methylsulfamoylamino)cycloheptane-1-carbonitrile (PubChem CID 114807713) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cycloheptane-1-carbonitrile
PubChem CID114807713
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-(methylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C9H17N3O2S/c1-11-15(13,14)12-9(8-10)6-4-2-3-5-7-9/h11-12H,2-7H2,1H3
InChIKeyINELECXVNSRQHV-UHFFFAOYSA-N
XLogP0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyanocycloheptyl)methanesulfonamide
CID 61123103
1-Cyano-1-(diethylsulfamoylamino)cycloheptane
CID 61124695
1-Cyano-1-(dimethylsulfamoylamino)cyclooctane
CID 61134606
N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide
CID 63689724
1-(aminomethyl)-N-(tert-butylsulfamoyl)cycloheptan-1-amine
CID 113636369
1-(Tert-butylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637021
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637022

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile (CID 114807713) is 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile is CNS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile?
The InChIKey is INELECXVNSRQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-11-15(13,14)12-9(8-10)6-4-2-3-5-7-9/h11-12H,2-7H2,1H3.
What are the key properties of 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile?
1-(methylsulfamoylamino)cycloheptane-1-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 114807713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).