tert-butyl(thiophen-2-ylmethyl)carbamic acid

C10H15NO2S — CID 70162117

IUPACtert-butyl(thiophen-2-ylmethyl)carbamic acid
SMILESCC(C)(C)N(Cc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-10(2,3)11(9(12)13)7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyVRUCAHREDBKAPZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl(thiophen-2-ylmethyl)carbamic acid

tert-butyl(thiophen-2-ylmethyl)carbamic acid (PubChem CID 70162117) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is tert-butyl(thiophen-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(thiophen-2-ylmethyl)carbamic acid
PubChem CID70162117
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nametert-butyl(thiophen-2-ylmethyl)carbamic acid
SMILESCC(C)(C)N(Cc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-10(2,3)11(9(12)13)7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyVRUCAHREDBKAPZ-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(thiophen-2-ylmethyl)carbamic acid?
The IUPAC name of tert-butyl(thiophen-2-ylmethyl)carbamic acid (CID 70162117) is tert-butyl(thiophen-2-ylmethyl)carbamic acid.
What is the SMILES notation for tert-butyl(thiophen-2-ylmethyl)carbamic acid?
The canonical SMILES for tert-butyl(thiophen-2-ylmethyl)carbamic acid is CC(C)(C)N(Cc1cccs1)C(=O)O.
What is the InChIKey of tert-butyl(thiophen-2-ylmethyl)carbamic acid?
The InChIKey is VRUCAHREDBKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)11(9(12)13)7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl(thiophen-2-ylmethyl)carbamic acid?
tert-butyl(thiophen-2-ylmethyl)carbamic acid has a molecular weight of 213.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(thiophen-2-ylmethyl)carbamic acid is sourced from PubChem (CID 70162117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).