tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate

C13H19NO4S — CID 146613721

IUPACtert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCS(=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)14-8-9-19(17)11-6-4-10(15)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyLLMJIZBPHAJHRD-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.02
Rot. Bonds4

About tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate

tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate (PubChem CID 146613721) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
PubChem CID146613721
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Nametert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCS(=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)14-8-9-19(17)11-6-4-10(15)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyLLMJIZBPHAJHRD-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]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-[3-(4-fluorophenyl)sulfinylpropyl]carbamate
CID 142223161
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
CID 2795733
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
CID 103740181
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
CID 167437352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate (CID 146613721) is tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate is CC(C)(C)OC(=O)NCCS(=O)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate?
The InChIKey is LLMJIZBPHAJHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)14-8-9-19(17)11-6-4-10(15)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate?
tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate has a molecular weight of 285.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate is sourced from PubChem (CID 146613721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).