cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane

C13H19NOS — CID 134856245

IUPACcyclohexylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESC[S@@](=O)(=NC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-16(15,13-10-6-3-7-11-13)14-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3/t16-/m0/s1
InChIKeyDXDXUNYDJHAGJR-INIZCTEOSA-N
MW237.37 g/mol
LogP3.48
Rot. Bonds2

About cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane

cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 134856245) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namecyclohexylimino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID134856245
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Namecyclohexylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESC[S@@](=O)(=NC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-16(15,13-10-6-3-7-11-13)14-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3/t16-/m0/s1
InChIKeyDXDXUNYDJHAGJR-INIZCTEOSA-N
XLogP3.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-S,S-diphenylsulfoximine
CID 374284
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
N-cyclohexyl-4-(methylsulfanyl)benzenesulfonamide
CID 803800
N-cyclohexyl-N-methylbenzenesulfonamide
CID 668788
Methyl(methylimino)(phenyl)-lambda6-sulfanone
CID 519772
4-(benzenesulfinyl)-N,N-dimethylbutan-1-amine
CID 73357242
R-(-)-N,S-Dimethyl-S-phenylsulfoximine
CID 25036640
N-cyclohexylbenzenesulfinamide
CID 4681762
Fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
N-cyclohexyl-3-(methylsulfonyl)benzenesulfonamide
CID 6462647
Methyl-oxo-phenyl-prop-1-en-2-ylimino-lambda6-sulfane
CID 11264047
Methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane
CID 11287516

Frequently Asked Questions

What is the IUPAC name of cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane (CID 134856245) is cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane is C[S@@](=O)(=NC1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is DXDXUNYDJHAGJR-INIZCTEOSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16(15,13-10-6-3-7-11-13)14-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3/t16-/m0/s1.
What are the key properties of cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane?
cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 237.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylimino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 134856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).