(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine

C6H13NOS — CID 25010757

IUPAC(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine
SMILESCSCCCC/C=N/O
InChIInChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+
InChIKeyKNFFJJFEYQLINT-FNORWQNLSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine

(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine (PubChem CID 25010757) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine
PubChem CID25010757
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine
SMILESCSCCCC/C=N/O
InChIInChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+
InChIKeyKNFFJJFEYQLINT-FNORWQNLSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
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-(5-methylsulfanylpentylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine (CID 25010757) is (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine is CSCCCC/C=N/O.
What is the InChIKey of (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine?
The InChIKey is KNFFJJFEYQLINT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+.
What are the key properties of (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine?
(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-methylsulfanylpentylidene)hydroxylamine is sourced from PubChem (CID 25010757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).