4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one

C9H17NO2S — CID 165442299

IUPAC4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one
SMILESCS(C)(=O)=NCC1CCC(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-13(2,12)10-7-8-3-5-9(11)6-4-8/h8H,3-7H2,1-2H3
InChIKeyYTCXQXUHEJSXAO-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.47
Rot. Bonds2

About 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one

4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one (PubChem CID 165442299) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one
PubChem CID165442299
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one
SMILESCS(C)(=O)=NCC1CCC(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-13(2,12)10-7-8-3-5-9(11)6-4-8/h8H,3-7H2,1-2H3
InChIKeyYTCXQXUHEJSXAO-UHFFFAOYSA-N
XLogP1.47
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azidomethyl)cyclohexan-1-one
CID 151735095
3-(2-methylsulfonylethyl)cyclopentan-1-one
CID 64521718
4-(iodomethyl)cyclohexan-1-one
CID 15439179
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
4-[[methyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 115240058
4-ethylcycloheptan-1-one
CID 15698158
4-(4-oxocyclohexyl)sulfonylcyclohexan-1-one
CID 18359470
4-decylcyclohexan-1-one
CID 13479948
4-[methylsulfonyl-(4-oxocyclohexyl)sulfonylmethyl]sulfonylcyclohexan-1-one
CID 153470133
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide
CID 18714022

Frequently Asked Questions

What is the IUPAC name of 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one (CID 165442299) is 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one is CS(C)(=O)=NCC1CCC(=O)CC1.
What is the InChIKey of 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one?
The InChIKey is YTCXQXUHEJSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(2,12)10-7-8-3-5-9(11)6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one?
4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one has a molecular weight of 203.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 165442299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).