methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate

C11H13NO2S — CID 12963032

IUPACmethyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate
SMILESCOC(=O)N/C(C)=C\Sc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-9(12-11(13)14-2)8-15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)/b9-8-
InChIKeyWGBMJNIRUKUZDA-HJWRWDBZSA-N
MW223.30 g/mol
LogP3.00
Rot. Bonds3

About methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate

methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate (PubChem CID 12963032) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate
PubChem CID12963032
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate
SMILESCOC(=O)N/C(C)=C\Sc1ccccc1
InChIInChI=1S/C11H13NO2S/c1-9(12-11(13)14-2)8-15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)/b9-8-
InChIKeyWGBMJNIRUKUZDA-HJWRWDBZSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-nitroprop-1-enylsulfanylbenzene
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ethyl N-(3-phenylsulfanylprop-2-enoyl)carbamate
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2-methylsulfanyl-N-phenyl-3-phenylsulfanylprop-2-enamide
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methyl N-(phenylcarbamoyl)carbamate
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methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(2-phenylethenyl)phenyl]carbamothioyl]carbamate
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3-phenylsulfanylprop-2-enyl acetate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate?
The IUPAC name of methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate (CID 12963032) is methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate?
The canonical SMILES for methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate is COC(=O)N/C(C)=C\Sc1ccccc1.
What is the InChIKey of methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate?
The InChIKey is WGBMJNIRUKUZDA-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-9(12-11(13)14-2)8-15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)/b9-8-.
What are the key properties of methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate?
methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate has a molecular weight of 223.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate is sourced from PubChem (CID 12963032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).