tert-butyl N-(3-sulfanylphenyl)carbamate

C11H15NO2S — CID 11436060

IUPACtert-butyl N-(3-sulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(S)c1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,12,13)
InChIKeyFKQZBRIRXCOQJC-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.32
Rot. Bonds1

About tert-butyl N-(3-sulfanylphenyl)carbamate

tert-butyl N-(3-sulfanylphenyl)carbamate (PubChem CID 11436060) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is tert-butyl N-(3-sulfanylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-sulfanylphenyl)carbamate
PubChem CID11436060
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nametert-butyl N-(3-sulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(S)c1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,12,13)
InChIKeyFKQZBRIRXCOQJC-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-(3-chloroprop-1-enyl)phenyl]carbamate
CID 169478424
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 72524578
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-sulfanylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-sulfanylphenyl)carbamate (CID 11436060) is tert-butyl N-(3-sulfanylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-sulfanylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-sulfanylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(S)c1.
What is the InChIKey of tert-butyl N-(3-sulfanylphenyl)carbamate?
The InChIKey is FKQZBRIRXCOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(3-sulfanylphenyl)carbamate?
tert-butyl N-(3-sulfanylphenyl)carbamate has a molecular weight of 225.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-sulfanylphenyl)carbamate is sourced from PubChem (CID 11436060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).