tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate

C11H17NO2S — CID 71755375

IUPACtert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C11H17NO2S/c1-7-6-9(15-8(7)2)12-10(13)14-11(3,4)5/h6H,1-5H3,(H,12,13)
InChIKeyRNHCFGQZCBOMQI-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate

tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate (PubChem CID 71755375) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
PubChem CID71755375
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C11H17NO2S/c1-7-6-9(15-8(7)2)12-10(13)14-11(3,4)5/h6H,1-5H3,(H,12,13)
InChIKeyRNHCFGQZCBOMQI-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]acetic acid
CID 172801089
tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
CID 59015272
3-[methyl-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carbonyl]amino]propylcarbamic acid
CID 66671663
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate (CID 71755375) is tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate?
The InChIKey is RNHCFGQZCBOMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7-6-9(15-8(7)2)12-10(13)14-11(3,4)5/h6H,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate?
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate is sourced from PubChem (CID 71755375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).