methane;N-(2-sulfanylcyclododecylidene)hydroxylamine

C13H27NOS — CID 174504939

IUPACmethane;N-(2-sulfanylcyclododecylidene)hydroxylamine
SMILESC.ON=C1CCCCCCCCCCC1S
InChIInChI=1S/C12H23NOS.CH4/c14-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15;/h12,14-15H,1-10H2;1H4
InChIKeyURDHOJRRTJGNEF-UHFFFAOYSA-N
MW245.43 g/mol
LogP4.67
Rot. Bonds

About methane;N-(2-sulfanylcyclododecylidene)hydroxylamine

methane;N-(2-sulfanylcyclododecylidene)hydroxylamine (PubChem CID 174504939) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is methane;N-(2-sulfanylcyclododecylidene)hydroxylamine.

Molecular Properties

Compound Namemethane;N-(2-sulfanylcyclododecylidene)hydroxylamine
PubChem CID174504939
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Namemethane;N-(2-sulfanylcyclododecylidene)hydroxylamine
SMILESC.ON=C1CCCCCCCCCCC1S
InChIInChI=1S/C12H23NOS.CH4/c14-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15;/h12,14-15H,1-10H2;1H4
InChIKeyURDHOJRRTJGNEF-UHFFFAOYSA-N
XLogP4.67
TPSA32.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methane;N-(2-sulfanylcyclododecylidene)hydroxylamine 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 methane;N-(2-sulfanylcyclododecylidene)hydroxylamine?
The IUPAC name of methane;N-(2-sulfanylcyclododecylidene)hydroxylamine (CID 174504939) is methane;N-(2-sulfanylcyclododecylidene)hydroxylamine.
What is the SMILES notation for methane;N-(2-sulfanylcyclododecylidene)hydroxylamine?
The canonical SMILES for methane;N-(2-sulfanylcyclododecylidene)hydroxylamine is C.ON=C1CCCCCCCCCCC1S.
What is the InChIKey of methane;N-(2-sulfanylcyclododecylidene)hydroxylamine?
The InChIKey is URDHOJRRTJGNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS.CH4/c14-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15;/h12,14-15H,1-10H2;1H4.
What are the key properties of methane;N-(2-sulfanylcyclododecylidene)hydroxylamine?
methane;N-(2-sulfanylcyclododecylidene)hydroxylamine has a molecular weight of 245.43 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(2-sulfanylcyclododecylidene)hydroxylamine is sourced from PubChem (CID 174504939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).