1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile

C12H21N3O2S — CID 114807747

IUPAC1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H21N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-9H2
InChIKeyAEXCQZVJTVBOAS-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.58
Rot. Bonds4

About 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile

1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807747) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807747
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H21N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-9H2
InChIKeyAEXCQZVJTVBOAS-UHFFFAOYSA-N
XLogP1.58
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.58
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-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61453860
1-(Cyclopropylsulfamoylamino)-4-ethylcyclohexane-1-carbonitrile
CID 113637018
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637022
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637023
2-Cyclohexyl-2-(cyclopropylsulfamoylamino)acetonitrile
CID 113637025
1-(Propylsulfamoylamino)cyclooctane-1-carbonitrile
CID 113637028
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine
CID 114803357
1-(Cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807695
1-(Tert-butylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807745
1-(Ethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807748
1-(Methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807747) is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile is N#CC1(NS(=O)(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is AEXCQZVJTVBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-9H2.
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 271.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).