tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate

C13H21NO2S — CID 114749404

IUPACtert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate
SMILESCCC(C)c1cscc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-6-9(2)10-7-17-8-11(10)14-12(15)16-13(3,4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyMCUXAVNPQLXMBG-UHFFFAOYSA-N
MW255.38 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate

tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate (PubChem CID 114749404) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate
PubChem CID114749404
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate
SMILESCCC(C)c1cscc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2S/c1-6-9(2)10-7-17-8-11(10)14-12(15)16-13(3,4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyMCUXAVNPQLXMBG-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144
tert-butyl N-[4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208093
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
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tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
CID 134997675

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate (CID 114749404) is tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate is CCC(C)c1cscc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate?
The InChIKey is MCUXAVNPQLXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-9(2)10-7-17-8-11(10)14-12(15)16-13(3,4)5/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate?
tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate has a molecular weight of 255.38 g/mol, XLogP of 4.61, 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-butan-2-ylthiophen-3-yl)carbamate is sourced from PubChem (CID 114749404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).