1-(propylsulfamoylamino)cycloheptane-1-carbonitrile

C11H21N3O2S — CID 114807711

IUPAC1-(propylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-9-13-17(15,16)14-11(10-12)7-5-3-4-6-8-11/h13-14H,2-9H2,1H3
InChIKeyGQKYYXLMARYZHF-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.44
Rot. Bonds5

About 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile

1-(propylsulfamoylamino)cycloheptane-1-carbonitrile (PubChem CID 114807711) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylsulfamoylamino)cycloheptane-1-carbonitrile
PubChem CID114807711
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-(propylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-9-13-17(15,16)14-11(10-12)7-5-3-4-6-8-11/h13-14H,2-9H2,1H3
InChIKeyGQKYYXLMARYZHF-UHFFFAOYSA-N
XLogP1.44
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
1-Amino-1-[(dimethylsulfamoylamino)methyl]cycloheptane
CID 43598295
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
N-[(1-aminocycloheptyl)methyl]-1-cyanopropane-1-sulfonamide
CID 65570211
1-Methyl-4-(sulfamoylamino)cycloheptane
CID 102794992
[(1S)-1-(sulfamoylamino)ethyl]cycloheptane
CID 103935970
[(1R)-1-(sulfamoylamino)ethyl]cycloheptane
CID 103935971

Frequently Asked Questions

What is the IUPAC name of 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile (CID 114807711) is 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile is CCCNS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile?
The InChIKey is GQKYYXLMARYZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-2-9-13-17(15,16)14-11(10-12)7-5-3-4-6-8-11/h13-14H,2-9H2,1H3.
What are the key properties of 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile?
1-(propylsulfamoylamino)cycloheptane-1-carbonitrile has a molecular weight of 259.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylsulfamoylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 114807711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).