N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

C5H13NO2S — CID 57067794

IUPACN-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCCC(C)=S(=O)(O)NC
InChIInChI=1S/C5H13NO2S/c1-4-5(2)9(7,8)6-3/h4H2,1-3H3,(H2,6,7,8)
InChIKeyFGSZUYGZPVXEIV-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.48
Rot. Bonds2

About N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (PubChem CID 57067794) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.

Molecular Properties

Compound NameN-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
PubChem CID57067794
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCCC(C)=S(=O)(O)NC
InChIInChI=1S/C5H13NO2S/c1-4-5(2)9(7,8)6-3/h4H2,1-3H3,(H2,6,7,8)
InChIKeyFGSZUYGZPVXEIV-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The IUPAC name of N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (CID 57067794) is N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.
What is the SMILES notation for N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The canonical SMILES for N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is CCC(C)=S(=O)(O)NC.
What is the InChIKey of N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The InChIKey is FGSZUYGZPVXEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4-5(2)9(7,8)6-3/h4H2,1-3H3,(H2,6,7,8).
What are the key properties of N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine has a molecular weight of 151.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is sourced from PubChem (CID 57067794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).