(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate

C8H16N2O4S — CID 54421868

IUPAC(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
SMILESCCC(CS(=O)(=O)CC)=NOC(=O)NC
InChIInChI=1S/C8H16N2O4S/c1-4-7(6-15(12,13)5-2)10-14-8(11)9-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyWBJPXPCSYUCSSH-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.54
Rot. Bonds5

About (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate

(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate (PubChem CID 54421868) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate.

Molecular Properties

Compound Name(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
PubChem CID54421868
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
SMILESCCC(CS(=O)(=O)CC)=NOC(=O)NC
InChIInChI=1S/C8H16N2O4S/c1-4-7(6-15(12,13)5-2)10-14-8(11)9-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyWBJPXPCSYUCSSH-UHFFFAOYSA-N
XLogP0.54
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(methylcarbamoyloxy)butanimidate
CID 173461577
ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
ethenyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461502
[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
CID 11435132
2-methylpropyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461736
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
[(1-ethylsulfinyl-3-methylbutylidene)amino] N-methylcarbamate
CID 173461705
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
CID 54268424
3-bromo-2-(methylcarbamoyloxyimino)pentanoic acid
CID 57243000
[(Z)-3-octylundecan-2-ylideneamino] N-methylcarbamate
CID 129223532
octyl N-(methylcarbamoyloxy)ethanimidothioate
CID 71382707
[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
CID 54359627

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate?
The IUPAC name of (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate (CID 54421868) is (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate.
What is the SMILES notation for (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate?
The canonical SMILES for (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate is CCC(CS(=O)(=O)CC)=NOC(=O)NC.
What is the InChIKey of (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate?
The InChIKey is WBJPXPCSYUCSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-4-7(6-15(12,13)5-2)10-14-8(11)9-3/h4-6H2,1-3H3,(H,9,11).
What are the key properties of (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate?
(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate has a molecular weight of 236.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate is sourced from PubChem (CID 54421868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).