[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate

C11H14FNO2S — CID 137477163

IUPAC[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate
SMILESCS[C@H](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)/t8-/m1/s1
InChIKeyLCISIQQVCWPPFG-MRVPVSSYSA-N
MW243.30 g/mol
LogP3.13
Rot. Bonds4

About [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate

[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate (PubChem CID 137477163) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate
PubChem CID137477163
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate
SMILESCS[C@H](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)/t8-/m1/s1
InChIKeyLCISIQQVCWPPFG-MRVPVSSYSA-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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Related Compounds

ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
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2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
ethyl-[4-[(4-fluorophenyl)carbamoyloxy]but-2-ynyl]-dimethylazanium
CID 10356198
2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884036
[(2S)-2-chloropropyl] N-(4-acetylphenyl)carbamate
CID 125485467
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate (CID 137477163) is [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate is CS[C@H](C)COC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate?
The InChIKey is LCISIQQVCWPPFG-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate?
[(2R)-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 [(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 137477163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).