(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine

C5H11NOS — CID 15373244

IUPAC(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine
SMILESCCSC/C(C)=N/O
InChIInChI=1S/C5H11NOS/c1-3-8-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+
InChIKeyAXWUIVBVBXUQLE-AATRIKPKSA-N
MW133.22 g/mol
LogP1.59
Rot. Bonds3

About (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine

(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine (PubChem CID 15373244) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine
PubChem CID15373244
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine
SMILESCCSC/C(C)=N/O
InChIInChI=1S/C5H11NOS/c1-3-8-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+
InChIKeyAXWUIVBVBXUQLE-AATRIKPKSA-N
XLogP1.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine (CID 15373244) is (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine is CCSC/C(C)=N/O.
What is the InChIKey of (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine?
The InChIKey is AXWUIVBVBXUQLE-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-8-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine?
(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine has a molecular weight of 133.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 15373244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).