phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate

C11H15NO2S — CID 22245503

IUPACphenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
SMILESCCSCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-3-15-9-12(2)11(13)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyGRFQDSMHGNMPJJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.83
Rot. Bonds4

About phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate

phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate (PubChem CID 22245503) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
PubChem CID22245503
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namephenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
SMILESCCSCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-3-15-9-12(2)11(13)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyGRFQDSMHGNMPJJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-butyl-N-methylcarbamate
CID 564973
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158

Frequently Asked Questions

What is the IUPAC name of phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate?
The IUPAC name of phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate (CID 22245503) is phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate.
What is the SMILES notation for phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate?
The canonical SMILES for phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate is CCSCN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate?
The InChIKey is GRFQDSMHGNMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-15-9-12(2)11(13)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate?
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate has a molecular weight of 225.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate is sourced from PubChem (CID 22245503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).