tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate

C10H15NO3S — CID 131637957

IUPACtert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1CO
InChIInChI=1S/C10H15NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-5,12H,6H2,1-3H3,(H,11,13)
InChIKeyOLUXTXAYRKATBW-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate

tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate (PubChem CID 131637957) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate
PubChem CID131637957
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nametert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1CO
InChIInChI=1S/C10H15NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-5,12H,6H2,1-3H3,(H,11,13)
InChIKeyOLUXTXAYRKATBW-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate (CID 131637957) is tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccsc1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate?
The InChIKey is OLUXTXAYRKATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-5,12H,6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate?
tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 131637957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).