tert-butyl N-(1-thiophen-2-ylethyl)carbamate

C11H17NO2S — CID 63788673

IUPACtert-butyl N-(1-thiophen-2-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(9-6-5-7-15-9)12-10(13)14-11(2,3)4/h5-8H,1-4H3,(H,12,13)
InChIKeyAQKSQPDNXLBOIR-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N-(1-thiophen-2-ylethyl)carbamate

tert-butyl N-(1-thiophen-2-ylethyl)carbamate (PubChem CID 63788673) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl N-(1-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-thiophen-2-ylethyl)carbamate
PubChem CID63788673
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl N-(1-thiophen-2-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(9-6-5-7-15-9)12-10(13)14-11(2,3)4/h5-8H,1-4H3,(H,12,13)
InChIKeyAQKSQPDNXLBOIR-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate
CID 46201421
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
tert-butyl N-[2-(dimethylamino)-2-oxo-1-thiophen-2-ylethyl]carbamate
CID 68555774
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl N-(1,3-dihydroxy-1-thiophen-2-ylpropan-2-yl)carbamate
CID 75586810
tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
CID 107441231
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-thiophen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(1-thiophen-2-ylethyl)carbamate (CID 63788673) is tert-butyl N-(1-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-thiophen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-thiophen-2-ylethyl)carbamate is CC(NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-(1-thiophen-2-ylethyl)carbamate?
The InChIKey is AQKSQPDNXLBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(9-6-5-7-15-9)12-10(13)14-11(2,3)4/h5-8H,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(1-thiophen-2-ylethyl)carbamate?
tert-butyl N-(1-thiophen-2-ylethyl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 63788673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).