N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine

C12H23NS — CID 118697908

IUPACN-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine
SMILESCC/C=C\N(S)CC1CCC(C)CC1
InChIInChI=1S/C12H23NS/c1-3-4-9-13(14)10-12-7-5-11(2)6-8-12/h4,9,11-12,14H,3,5-8,10H2,1-2H3/b9-4-
InChIKeyQTHBVYCONVHDLP-WTKPLQERSA-N
MW213.39 g/mol
LogP3.88
Rot. Bonds4

About N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine

N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine (PubChem CID 118697908) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine
PubChem CID118697908
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine
SMILESCC/C=C\N(S)CC1CCC(C)CC1
InChIInChI=1S/C12H23NS/c1-3-4-9-13(14)10-12-7-5-11(2)6-8-12/h4,9,11-12,14H,3,5-8,10H2,1-2H3/b9-4-
InChIKeyQTHBVYCONVHDLP-WTKPLQERSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine?
The IUPAC name of N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine (CID 118697908) is N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine is CC/C=C\N(S)CC1CCC(C)CC1.
What is the InChIKey of N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine?
The InChIKey is QTHBVYCONVHDLP-WTKPLQERSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-4-9-13(14)10-12-7-5-11(2)6-8-12/h4,9,11-12,14H,3,5-8,10H2,1-2H3/b9-4-.
What are the key properties of N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine?
N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine has a molecular weight of 213.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N-[(4-methylcyclohexyl)methyl]thiohydroxylamine is sourced from PubChem (CID 118697908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).