(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine

C8H17NOS — CID 25010753

IUPAC(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine
SMILESCSCCCCCC/C=N/O
InChIInChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyLLTRNSKZFVUNLQ-VQHVLOKHSA-N
MW175.30 g/mol
LogP2.76
Rot. Bonds7

About (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine

(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine (PubChem CID 25010753) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine
PubChem CID25010753
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine
SMILESCSCCCCCC/C=N/O
InChIInChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyLLTRNSKZFVUNLQ-VQHVLOKHSA-N
XLogP2.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.76
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 (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine (CID 25010753) is (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine is CSCCCCCC/C=N/O.
What is the InChIKey of (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine?
The InChIKey is LLTRNSKZFVUNLQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+.
What are the key properties of (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine?
(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine has a molecular weight of 175.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-methylsulfanylheptylidene)hydroxylamine is sourced from PubChem (CID 25010753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).