tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate

C15H20FNO2S — CID 134203643

IUPACtert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2S/c1-15(2,3)19-14(18)17-12-8-9-13(12)20-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGWQQIHCHKHXAMC-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate

tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate (PubChem CID 134203643) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate
PubChem CID134203643
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Nametert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2S/c1-15(2,3)19-14(18)17-12-8-9-13(12)20-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGWQQIHCHKHXAMC-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-(imino(oxo)phenyl-lambda6-sulfanyl)ethyl)carbamate
CID 138987821
(S)-S-phenyl 2-(tert-butoxycarbonylamino)propanethioate
CID 86659320
tert-butyl (R)-(4-oxo-1-(phenylthio)butan-2-yl)carbamate
CID 125496399
methyl (2R)-3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132522483
(2S)-3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10591425
tert-butyl N-[(1S,3R)-3-[2-(3-fluorophenyl)sulfanylethyl]cyclohexyl]carbamate
CID 20729720
tert-butyl N-[(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentyl]carbamate
CID 21110000
Tert-butyl 3-[(2,4-difluorophenyl)sulfanylmethyl]azetidine-1-carboxylate
CID 21978424
2-tert-Butoxycarbonylamino-3-(4-fluoro-phenylsulfanyl)-propionic Acid
CID 23256335
tert-butyl N-[3-(4-fluorophenyl)sulfonylpropyl]carbamate
CID 58818198
tert-butyl N-[3-(4-fluorophenyl)sulfanylpropyl]carbamate
CID 58818212
tert-butyl N-[(2S)-1-(4-fluorophenyl)sulfanylpentan-2-yl]carbamate
CID 59125348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate (CID 134203643) is tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CCC1Sc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate?
The InChIKey is GWQQIHCHKHXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-15(2,3)19-14(18)17-12-8-9-13(12)20-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate?
tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate has a molecular weight of 297.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluorophenyl)sulfanylcyclobutyl]carbamate is sourced from PubChem (CID 134203643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).