1-(methylsulfamoylamino)cyclooctane-1-carbonitrile

C10H19N3O2S — CID 114807749

IUPAC1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-12-16(14,15)13-10(9-11)7-5-3-2-4-6-8-10/h12-13H,2-8H2,1H3
InChIKeyKJIGYZYAZZTHDG-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.05
Rot. Bonds3

About 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile

1-(methylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807749) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807749
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-12-16(14,15)13-10(9-11)7-5-3-2-4-6-8-10/h12-13H,2-8H2,1H3
InChIKeyKJIGYZYAZZTHDG-UHFFFAOYSA-N
XLogP1.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
1-cyano-1-(sulfamoylamino)cyclooctane
CID 114959123
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
CID 83083803
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 60660795
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 61358180
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
2-chloro-N-(1-cyanocycloheptyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61217087

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807749) is 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile is CNS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is KJIGYZYAZZTHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-12-16(14,15)13-10(9-11)7-5-3-2-4-6-8-10/h12-13H,2-8H2,1H3.
What are the key properties of 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).