1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile

C13H25N3O2S — CID 114815085

IUPAC1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2)10-15-19(17,18)16-13(11-14)8-6-4-3-5-7-9-13/h12,15-16H,3-10H2,1-2H3
InChIKeyNSLCHWVBCOLYNZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.07
Rot. Bonds5

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

1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114815085) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114815085
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2)10-15-19(17,18)16-13(11-14)8-6-4-3-5-7-9-13/h12,15-16H,3-10H2,1-2H3
InChIKeyNSLCHWVBCOLYNZ-UHFFFAOYSA-N
XLogP2.07
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
1-(Aminomethyl)-1-(sulfamoylamino)cyclooctane
CID 28940624
N-(1-cyanocyclooctyl)-4-methylpiperidine-1-sulfonamide
CID 61133010
N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide
CID 61133607
1-Cyano-1-(diethylsulfamoylamino)cyclooctane
CID 61134207
1-Cyano-1-(dimethylsulfamoylamino)cyclooctane
CID 61134606
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61453860
1-(aminomethyl)-N-(ethylsulfamoyl)cyclooctan-1-amine
CID 113636368
4-Ethyl-1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637019
4-Ethyl-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637020
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637023
2-(Tert-butylsulfamoylamino)-2-cyclohexylacetonitrile
CID 113637024

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114815085) is 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile is CC(C)CNS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is NSLCHWVBCOLYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(2)10-15-19(17,18)16-13(11-14)8-6-4-3-5-7-9-13/h12,15-16H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 287.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114815085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).