cyclohexyl-methyl-methylimino-oxo-λ6-sulfane

C8H17NOS — CID 132969713

IUPACcyclohexyl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)C1CCCCC1
InChIInChI=1S/C8H17NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyPQXYCURWHNCPMK-UHFFFAOYSA-N
MW175.30 g/mol
LogP2.05
Rot. Bonds1

About cyclohexyl-methyl-methylimino-oxo-λ6-sulfane

cyclohexyl-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 132969713) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is cyclohexyl-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclohexyl-methyl-methylimino-oxo-λ6-sulfane
PubChem CID132969713
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Namecyclohexyl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)C1CCCCC1
InChIInChI=1S/C8H17NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyPQXYCURWHNCPMK-UHFFFAOYSA-N
XLogP2.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-methyl-methylimino-oxo-λ6-sulfane;ethane
CID 167494200
2-cycloheptylsulfonylpropanoic acid
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CID 174013761
(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889995
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
2-cyclohexylsulfonyl-3-methylbutanenitrile
CID 117037819
cyclooctanesulfonyl iodide
CID 22935862
cycloheptanesulfonyl bromide
CID 22935869
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
6,6-dimethylcycloundecane-1-sulfonyl chloride
CID 146618987
cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
N-methoxyiminocyclohexanesulfonamide
CID 172555637

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of cyclohexyl-methyl-methylimino-oxo-λ6-sulfane (CID 132969713) is cyclohexyl-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for cyclohexyl-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for cyclohexyl-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is PQXYCURWHNCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-methyl-methylimino-oxo-λ6-sulfane?
cyclohexyl-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 175.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 132969713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).