tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane

C13H23NO2S — CID 155737680

IUPACtert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
SMILESCC.Cc1csc(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S.C2H6/c1-7-6-15-8(2)9(7)12-10(13)14-11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3
InChIKeyRQUFPLFXFLUMNZ-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.74
Rot. Bonds1

About tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane

tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane (PubChem CID 155737680) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
PubChem CID155737680
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Nametert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
SMILESCC.Cc1csc(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S.C2H6/c1-7-6-15-8(2)9(7)12-10(13)14-11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3
InChIKeyRQUFPLFXFLUMNZ-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
methyl 5-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 162346378
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100804
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-2,3,5-trimethylphenyl)carbamate
CID 22048539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane (CID 155737680) is tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane is CC.Cc1csc(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane?
The InChIKey is RQUFPLFXFLUMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C2H6/c1-7-6-15-8(2)9(7)12-10(13)14-11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3.
What are the key properties of tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane?
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane has a molecular weight of 257.40 g/mol, XLogP of 4.74, 1 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-dimethylthiophen-3-yl)carbamate;ethane is sourced from PubChem (CID 155737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).