tert-butyl(2-thiophen-3-ylethyl)carbamic acid

C11H17NO2S — CID 66864343

IUPACtert-butyl(2-thiophen-3-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCc1ccsc1)C(=O)O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12(10(13)14)6-4-9-5-7-15-8-9/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyZBHJWVJOZFAOHU-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.07
Rot. Bonds3

About tert-butyl(2-thiophen-3-ylethyl)carbamic acid

tert-butyl(2-thiophen-3-ylethyl)carbamic acid (PubChem CID 66864343) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl(2-thiophen-3-ylethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-thiophen-3-ylethyl)carbamic acid
PubChem CID66864343
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl(2-thiophen-3-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCc1ccsc1)C(=O)O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12(10(13)14)6-4-9-5-7-15-8-9/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyZBHJWVJOZFAOHU-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-thiophen-3-ylethyl)carbamic acid?
The IUPAC name of tert-butyl(2-thiophen-3-ylethyl)carbamic acid (CID 66864343) is tert-butyl(2-thiophen-3-ylethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-thiophen-3-ylethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-thiophen-3-ylethyl)carbamic acid is CC(C)(C)N(CCc1ccsc1)C(=O)O.
What is the InChIKey of tert-butyl(2-thiophen-3-ylethyl)carbamic acid?
The InChIKey is ZBHJWVJOZFAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)12(10(13)14)6-4-9-5-7-15-8-9/h5,7-8H,4,6H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl(2-thiophen-3-ylethyl)carbamic acid?
tert-butyl(2-thiophen-3-ylethyl)carbamic acid has a molecular weight of 227.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-thiophen-3-ylethyl)carbamic acid is sourced from PubChem (CID 66864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).