N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine

C11H21NOS — CID 4231563

IUPACN-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)SC1CCCCC1
InChIInChI=1S/C11H21NOS/c1-9(12-13)11(2,3)14-10-7-5-4-6-8-10/h10,13H,4-8H2,1-3H3
InChIKeyZDTSGWKVNYWPOO-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.68
Rot. Bonds3

About N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine

N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine (PubChem CID 4231563) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
PubChem CID4231563
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)SC1CCCCC1
InChIInChI=1S/C11H21NOS/c1-9(12-13)11(2,3)14-10-7-5-4-6-8-10/h10,13H,4-8H2,1-3H3
InChIKeyZDTSGWKVNYWPOO-UHFFFAOYSA-N
XLogP3.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylthio-cyclohexanone oxime
CID 139063779
3-[(Hexylsulfanyl)methyl]pentane-2,4-dione dioxime
CID 134158555
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
Paamewrzfhdutj-sofgywhqsa-
CID 21604082
N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 85805064
(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88779399
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367
N-[3-(2-hexylsulfanylethylsulfanyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 3615202
N-(2-dodecylsulfanylcyclohexylidene)hydroxylamine
CID 4454955
(NZ)-N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 5774989
(NZ)-N-[3-(2-hexylsulfanylethylsulfanyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 5875847
(NZ)-N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 6043304

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine (CID 4231563) is N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine is CC(=NO)C(C)(C)SC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The InChIKey is ZDTSGWKVNYWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(12-13)11(2,3)14-10-7-5-4-6-8-10/h10,13H,4-8H2,1-3H3.
What are the key properties of N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine has a molecular weight of 215.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 4231563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).