1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile

C12H23N3O2S — CID 114807750

IUPAC1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)NS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)14-18(16,17)15-12(10-13)8-6-4-3-5-7-9-12/h11,14-15H,3-9H2,1-2H3
InChIKeyNAJAGHVJRFHNKA-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.83
Rot. Bonds4

About 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile

1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807750) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807750
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)NS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)14-18(16,17)15-12(10-13)8-6-4-3-5-7-9-12/h11,14-15H,3-9H2,1-2H3
InChIKeyNAJAGHVJRFHNKA-UHFFFAOYSA-N
XLogP1.83
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.83
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
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
1-Cyano-1-(diethylsulfamoylamino)cyclooctane
CID 61134207
N-(1-cyanocyclooctyl)-2-methylpiperidine-1-sulfonamide
CID 61134407
1-Cyano-1-(dimethylsulfamoylamino)cyclooctane
CID 61134606
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61453860
1-(Aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61455945
1-(aminomethyl)-N-(ethylsulfamoyl)cyclooctan-1-amine
CID 113636368
4-Ethyl-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637020
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637022
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637023

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807750) is 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile is CC(C)NS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is NAJAGHVJRFHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-11(2)14-18(16,17)15-12(10-13)8-6-4-3-5-7-9-12/h11,14-15H,3-9H2,1-2H3.
What are the key properties of 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 273.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).