N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

C3H9NO2S — CID 56612778

IUPACN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCC=S(=O)(O)NC
InChIInChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h3H,1-2H3,(H2,4,5,6)
InChIKeyPPEORPGWJWLWPX-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.30
Rot. Bonds1

About N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (PubChem CID 56612778) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.

Molecular Properties

Compound NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
PubChem CID56612778
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCC=S(=O)(O)NC
InChIInChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h3H,1-2H3,(H2,4,5,6)
InChIKeyPPEORPGWJWLWPX-UHFFFAOYSA-N
XLogP-0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.30
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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Frequently Asked Questions

What is the IUPAC name of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The IUPAC name of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (CID 56612778) is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.
What is the SMILES notation for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The canonical SMILES for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is CC=S(=O)(O)NC.
What is the InChIKey of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The InChIKey is PPEORPGWJWLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h3H,1-2H3,(H2,4,5,6).
What are the key properties of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine has a molecular weight of 123.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is sourced from PubChem (CID 56612778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).