[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate

C9H18N2O3S — CID 54268424

IUPAC[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
SMILESCCS(=O)CC(=NOC(=O)NC)C(C)C
InChIInChI=1S/C9H18N2O3S/c1-5-15(13)6-8(7(2)3)11-14-9(12)10-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyRIKMLTQWANBDBI-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.12
Rot. Bonds5

About [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate

[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate (PubChem CID 54268424) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate.

Molecular Properties

Compound Name[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
PubChem CID54268424
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
SMILESCCS(=O)CC(=NOC(=O)NC)C(C)C
InChIInChI=1S/C9H18N2O3S/c1-5-15(13)6-8(7(2)3)11-14-9(12)10-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyRIKMLTQWANBDBI-UHFFFAOYSA-N
XLogP1.12
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate?
The IUPAC name of [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate (CID 54268424) is [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate.
What is the SMILES notation for [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate?
The canonical SMILES for [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate is CCS(=O)CC(=NOC(=O)NC)C(C)C.
What is the InChIKey of [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate?
The InChIKey is RIKMLTQWANBDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-5-15(13)6-8(7(2)3)11-14-9(12)10-4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate?
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate has a molecular weight of 234.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate is sourced from PubChem (CID 54268424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).