1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile

C12H23N3O2S — CID 114815075

IUPAC1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)9-14-18(16,17)15-12(10-13)7-5-3-4-6-8-12/h11,14-15H,3-9H2,1-2H3
InChIKeyRSAQPOAJYDLNGE-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile

1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile (PubChem CID 114815075) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile
PubChem CID114815075
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)9-14-18(16,17)15-12(10-13)7-5-3-4-6-8-12/h11,14-15H,3-9H2,1-2H3
InChIKeyRSAQPOAJYDLNGE-UHFFFAOYSA-N
XLogP1.68
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710
2-(Sulfamoylamino)ethylcycloheptane
CID 157668382
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)-4-methylpiperidine-1-sulfonamide
CID 61123301
N-(1-cyanocycloheptyl)-3-methylpiperidine-1-sulfonamide
CID 61123699
1-Cyano-1-(diethylsulfamoylamino)cycloheptane
CID 61124695
1-Methyl-4-(sulfamoylamino)cycloheptane
CID 102794992
[(1S)-1-(sulfamoylamino)ethyl]cycloheptane
CID 103935970
[(1R)-1-(sulfamoylamino)ethyl]cycloheptane
CID 103935971
1-Methyl-2-(sulfamoylamino)cycloheptane
CID 112695018

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile (CID 114815075) is 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile is CC(C)CNS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile?
The InChIKey is RSAQPOAJYDLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-11(2)9-14-18(16,17)15-12(10-13)7-5-3-4-6-8-12/h11,14-15H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile?
1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile has a molecular weight of 273.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfamoylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 114815075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).