tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate

C16H27NO2S — CID 155390204

IUPACtert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
SMILESCc1c(C(C)C)sc(C(C)C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2S/c1-9(2)13-11(5)12(14(20-13)10(3)4)17-15(18)19-16(6,7)8/h9-10H,1-8H3,(H,17,18)
InChIKeySYUVCVKNHOEMBC-UHFFFAOYSA-N
MW297.46 g/mol
LogP5.65
Rot. Bonds3

About tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate

tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate (PubChem CID 155390204) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
PubChem CID155390204
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Nametert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
SMILESCc1c(C(C)C)sc(C(C)C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2S/c1-9(2)13-11(5)12(14(20-13)10(3)4)17-15(18)19-16(6,7)8/h9-10H,1-8H3,(H,17,18)
InChIKeySYUVCVKNHOEMBC-UHFFFAOYSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
tert-butyl N-[4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100702
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate
CID 147916897
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
3-[2,3,5,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoic acid
CID 57137772
tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117835
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate (CID 155390204) is tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate is Cc1c(C(C)C)sc(C(C)C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate?
The InChIKey is SYUVCVKNHOEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-9(2)13-11(5)12(14(20-13)10(3)4)17-15(18)19-16(6,7)8/h9-10H,1-8H3,(H,17,18).
What are the key properties of tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate?
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate has a molecular weight of 297.46 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate is sourced from PubChem (CID 155390204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).