N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine

C5H11NOS — CID 2794915

IUPACN-(3-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC(C)C(C)=NO
InChIInChI=1S/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3
InChIKeyWDQAHRJGGIAFLZ-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.59
Rot. Bonds2

About N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine

N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 2794915) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID2794915
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-(3-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC(C)C(C)=NO
InChIInChI=1S/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3
InChIKeyWDQAHRJGGIAFLZ-UHFFFAOYSA-N
XLogP1.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 2794915) is N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine is CSC(C)C(C)=NO.
What is the InChIKey of N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is WDQAHRJGGIAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3.
What are the key properties of N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine?
N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 133.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 2794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).