[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate

C5H12N2O2S — CID 11435132

IUPAC[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
SMILESCC/S(C)=N/OC(=O)NC
InChIInChI=1S/C5H12N2O2S/c1-4-10(3)7-9-5(8)6-2/h4H2,1-3H3,(H,6,8)
InChIKeyPYDKVOKRMPTKKR-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.71
Rot. Bonds2

About [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate

[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate (PubChem CID 11435132) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
PubChem CID11435132
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
SMILESCC/S(C)=N/OC(=O)NC
InChIInChI=1S/C5H12N2O2S/c1-4-10(3)7-9-5(8)6-2/h4H2,1-3H3,(H,6,8)
InChIKeyPYDKVOKRMPTKKR-UHFFFAOYSA-N
XLogP0.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
methyl N-(methylcarbamoyloxy)butanimidate
CID 173461577
[(1-ethylsulfinyl-3-methylbutylidene)amino] N-methylcarbamate
CID 173461705
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
CID 54268424
[(Z)-[(3R)-3-[(R)-methylsulfinyl]butan-2-ylidene]amino] N-methylcarbamate
CID 92843730
(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
CID 54421868
ethenyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461502
3-bromo-2-(methylcarbamoyloxyimino)pentanoic acid
CID 57243000
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
2-methylpropyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461736
octyl N-(methylcarbamoyloxy)ethanimidothioate
CID 71382707
[(Z)-3-octylundecan-2-ylideneamino] N-methylcarbamate
CID 129223532

Frequently Asked Questions

What is the IUPAC name of [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate?
The IUPAC name of [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate (CID 11435132) is [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate.
What is the SMILES notation for [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate?
The canonical SMILES for [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate is CC/S(C)=N/OC(=O)NC.
What is the InChIKey of [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate?
The InChIKey is PYDKVOKRMPTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-4-10(3)7-9-5(8)6-2/h4H2,1-3H3,(H,6,8).
What are the key properties of [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate?
[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate has a molecular weight of 164.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate is sourced from PubChem (CID 11435132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).