N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine

C5H13NO2S — CID 56635457

IUPACN-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine
SMILESCCC=S(=O)(O)NCC
InChIInChI=1S/C5H13NO2S/c1-3-5-9(7,8)6-4-2/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyCKBBETQMAOLNBH-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.48
Rot. Bonds3

About N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine

N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine (PubChem CID 56635457) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine.

Molecular Properties

Compound NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine
PubChem CID56635457
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine
SMILESCCC=S(=O)(O)NCC
InChIInChI=1S/C5H13NO2S/c1-3-5-9(7,8)6-4-2/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyCKBBETQMAOLNBH-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(hydroxy-oxo-propylidene-λ6-sulfanyl)propane-1-sulfonamide
CID 57318294
ethylsulfamic acid;methane
CID 161279958
N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
CID 123866040
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
(ethylsulfamoylamino)methanol
CID 117126069
ethyl hydrogen sulfate
CID 6004
sodium;ethyl N-ethylsulfamate;hydride
CID 174521414
acetic acid;N-ethylsulfamoyl fluoride
CID 175435767
sulfo 2-methylpent-2-enoate
CID 173010744
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
cobalt;ethanesulfonic acid
CID 162463828
ethanesulfonic acid;zinc
CID 87105443

Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine?
The IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine (CID 56635457) is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine.
What is the SMILES notation for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine?
The canonical SMILES for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine is CCC=S(=O)(O)NCC.
What is the InChIKey of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine?
The InChIKey is CKBBETQMAOLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-5-9(7,8)6-4-2/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine?
N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine has a molecular weight of 151.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine is sourced from PubChem (CID 56635457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).