methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate

C9H11NO4S — CID 67704889

IUPACmethyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CSCc1ccco1
InChIInChI=1S/C9H11NO4S/c1-13-9(12)10-8(11)6-15-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,11,12)
InChIKeyNXFVWSDXLULPDE-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.40
Rot. Bonds4

About methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate

methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate (PubChem CID 67704889) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
PubChem CID67704889
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CSCc1ccco1
InChIInChI=1S/C9H11NO4S/c1-13-9(12)10-8(11)6-15-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,11,12)
InChIKeyNXFVWSDXLULPDE-UHFFFAOYSA-N
XLogP1.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
methyl 2-(furan-2-ylmethylsulfanylcarbonylsulfanyl)acetate
CID 10467102
2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 78828363
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxohexan-3-yl]carbamate
CID 15287861
ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
methyl 2-amino-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63034284

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate?
The IUPAC name of methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate (CID 67704889) is methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate.
What is the SMILES notation for methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate?
The canonical SMILES for methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate is COC(=O)NC(=O)CSCc1ccco1.
What is the InChIKey of methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate?
The InChIKey is NXFVWSDXLULPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-13-9(12)10-8(11)6-15-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,11,12).
What are the key properties of methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate?
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate has a molecular weight of 229.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate is sourced from PubChem (CID 67704889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).