1-ethylsulfinyl-N-methylpropan-2-imine

C6H13NOS — CID 171553270

IUPAC1-ethylsulfinyl-N-methylpropan-2-imine
SMILESCCS(=O)C/C(C)=N/C
InChIInChI=1S/C6H13NOS/c1-4-9(8)5-6(2)7-3/h4-5H2,1-3H3/b7-6+
InChIKeyXDGNCJVWAXBMCP-VOTSOKGWSA-N
MW147.24 g/mol
LogP0.85
Rot. Bonds3

About 1-ethylsulfinyl-N-methylpropan-2-imine

1-ethylsulfinyl-N-methylpropan-2-imine (PubChem CID 171553270) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-ethylsulfinyl-N-methylpropan-2-imine.

Molecular Properties

Compound Name1-ethylsulfinyl-N-methylpropan-2-imine
PubChem CID171553270
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-ethylsulfinyl-N-methylpropan-2-imine
SMILESCCS(=O)C/C(C)=N/C
InChIInChI=1S/C6H13NOS/c1-4-9(8)5-6(2)7-3/h4-5H2,1-3H3/b7-6+
InChIKeyXDGNCJVWAXBMCP-VOTSOKGWSA-N
XLogP0.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfinylpropan-2-one
CID 45085426
1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
CID 161323393
sodium ethanesulfinic acid
CID 19960758
1-(isothiocyanatomethylsulfinyl)ethane
CID 139808850
N-methyl-1-phosphanylpropan-2-imine
CID 123219602
5-ethylsulfinylpentan-2-one
CID 64640070
N-cyano-2-ethylsulfinyl-N-methylacetamide
CID 87546655
3-ethylsulfinylpropoxy-hydroxy-oxophosphanium
CID 174846346
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
CID 54268424
sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
CID 173083185
ethanesulfinamide;hydrochloride
CID 155487048
2-hydroxyiminopropane-1-sulfinate
CID 174297142

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-N-methylpropan-2-imine?
The IUPAC name of 1-ethylsulfinyl-N-methylpropan-2-imine (CID 171553270) is 1-ethylsulfinyl-N-methylpropan-2-imine.
What is the SMILES notation for 1-ethylsulfinyl-N-methylpropan-2-imine?
The canonical SMILES for 1-ethylsulfinyl-N-methylpropan-2-imine is CCS(=O)C/C(C)=N/C.
What is the InChIKey of 1-ethylsulfinyl-N-methylpropan-2-imine?
The InChIKey is XDGNCJVWAXBMCP-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NOS/c1-4-9(8)5-6(2)7-3/h4-5H2,1-3H3/b7-6+.
What are the key properties of 1-ethylsulfinyl-N-methylpropan-2-imine?
1-ethylsulfinyl-N-methylpropan-2-imine has a molecular weight of 147.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-N-methylpropan-2-imine is sourced from PubChem (CID 171553270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).