2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate

C11H14FNO2S — CID 137477109

IUPAC2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate
SMILESCSC(C)COC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-8(16-2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyLCISIQQVCWPPFG-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.13
Rot. Bonds4

About 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate

2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate (PubChem CID 137477109) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate
PubChem CID137477109
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate
SMILESCSC(C)COC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-8(16-2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyLCISIQQVCWPPFG-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate?
The IUPAC name of 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate (CID 137477109) is 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate is CSC(C)COC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate?
The InChIKey is LCISIQQVCWPPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8(16-2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate?
2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate has a molecular weight of 243.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 137477109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).