N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine

C15H23NS — CID 144897282

IUPACN-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
SMILESCC1CCCC(N(S)C(C)c2ccccc2)C1
InChIInChI=1S/C15H23NS/c1-12-7-6-10-15(11-12)16(17)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3
InChIKeyHJMLLCRLEPUACV-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.47
Rot. Bonds3

About N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine

N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine (PubChem CID 144897282) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
PubChem CID144897282
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
SMILESCC1CCCC(N(S)C(C)c2ccccc2)C1
InChIInChI=1S/C15H23NS/c1-12-7-6-10-15(11-12)16(17)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3
InChIKeyHJMLLCRLEPUACV-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine 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-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
cumene;4-methylpiperidine
CID 158684278
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63469595
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine?
The IUPAC name of N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine (CID 144897282) is N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine.
What is the SMILES notation for N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine?
The canonical SMILES for N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine is CC1CCCC(N(S)C(C)c2ccccc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine?
The InChIKey is HJMLLCRLEPUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-7-6-10-15(11-12)16(17)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine?
N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine has a molecular weight of 249.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine is sourced from PubChem (CID 144897282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).