(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine

C4H9NOS — CID 15926133

IUPAC(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
SMILESCSCC/C=N/O
InChIInChI=1S/C4H9NOS/c1-7-4-2-3-5-6/h3,6H,2,4H2,1H3/b5-3+
InChIKeyHVONYXQHMDPJKE-HWKANZROSA-N
MW119.19 g/mol
LogP1.20
Rot. Bonds3

About (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine

(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine (PubChem CID 15926133) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
PubChem CID15926133
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
SMILESCSCC/C=N/O
InChIInChI=1S/C4H9NOS/c1-7-4-2-3-5-6/h3,6H,2,4H2,1H3/b5-3+
InChIKeyHVONYXQHMDPJKE-HWKANZROSA-N
XLogP1.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 51.20
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-(3-methylsulfanylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine (CID 15926133) is (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine is CSCC/C=N/O.
What is the InChIKey of (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine?
The InChIKey is HVONYXQHMDPJKE-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NOS/c1-7-4-2-3-5-6/h3,6H,2,4H2,1H3/b5-3+.
What are the key properties of (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine?
(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine has a molecular weight of 119.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methylsulfanylpropylidene)hydroxylamine is sourced from PubChem (CID 15926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).