tert-butyl N-(4-sulfanylphenyl)carbamate

C11H15NO2S — CID 59412418

IUPACtert-butyl N-(4-sulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(S)cc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-4-6-9(15)7-5-8/h4-7,15H,1-3H3,(H,12,13)
InChIKeyYYZNFLXZNSOQHP-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.32
Rot. Bonds1

About tert-butyl N-(4-sulfanylphenyl)carbamate

tert-butyl N-(4-sulfanylphenyl)carbamate (PubChem CID 59412418) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is tert-butyl N-(4-sulfanylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-sulfanylphenyl)carbamate
PubChem CID59412418
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nametert-butyl N-(4-sulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(S)cc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-4-6-9(15)7-5-8/h4-7,15H,1-3H3,(H,12,13)
InChIKeyYYZNFLXZNSOQHP-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

methyl N-(4-sulfanylphenyl)carbamate
CID 603048
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
CID 134492131
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 74787607
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-sulfanylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-sulfanylphenyl)carbamate (CID 59412418) is tert-butyl N-(4-sulfanylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-sulfanylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-sulfanylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(S)cc1.
What is the InChIKey of tert-butyl N-(4-sulfanylphenyl)carbamate?
The InChIKey is YYZNFLXZNSOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)12-8-4-6-9(15)7-5-8/h4-7,15H,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(4-sulfanylphenyl)carbamate?
tert-butyl N-(4-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-(4-sulfanylphenyl)carbamate is sourced from PubChem (CID 59412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).