N-(8-methylsulfanyloctylidene)hydroxylamine

C9H19NOS — CID 74388157

IUPACN-(8-methylsulfanyloctylidene)hydroxylamine
SMILESCSCCCCCCCC=NO
InChIInChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3
InChIKeyXKNUDVRSFJJTNT-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.15
Rot. Bonds8

About N-(8-methylsulfanyloctylidene)hydroxylamine

N-(8-methylsulfanyloctylidene)hydroxylamine (PubChem CID 74388157) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(8-methylsulfanyloctylidene)hydroxylamine.

Molecular Properties

Compound NameN-(8-methylsulfanyloctylidene)hydroxylamine
PubChem CID74388157
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(8-methylsulfanyloctylidene)hydroxylamine
SMILESCSCCCCCCCC=NO
InChIInChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3
InChIKeyXKNUDVRSFJJTNT-UHFFFAOYSA-N
XLogP3.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-methylsulfanyloctylidene)hydroxylamine?
The IUPAC name of N-(8-methylsulfanyloctylidene)hydroxylamine (CID 74388157) is N-(8-methylsulfanyloctylidene)hydroxylamine.
What is the SMILES notation for N-(8-methylsulfanyloctylidene)hydroxylamine?
The canonical SMILES for N-(8-methylsulfanyloctylidene)hydroxylamine is CSCCCCCCCC=NO.
What is the InChIKey of N-(8-methylsulfanyloctylidene)hydroxylamine?
The InChIKey is XKNUDVRSFJJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3.
What are the key properties of N-(8-methylsulfanyloctylidene)hydroxylamine?
N-(8-methylsulfanyloctylidene)hydroxylamine has a molecular weight of 189.32 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylsulfanyloctylidene)hydroxylamine is sourced from PubChem (CID 74388157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).