(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate

C12H17NO2S — CID 175215163

IUPAC(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1csc(C2CC2)c1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)13-11(14)15-9-6-10(16-7-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyVRLPLKPBHZLPPK-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.51
Rot. Bonds2

About (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate

(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate (PubChem CID 175215163) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
PubChem CID175215163
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1csc(C2CC2)c1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)13-11(14)15-9-6-10(16-7-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyVRLPLKPBHZLPPK-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate?
The IUPAC name of (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate (CID 175215163) is (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1csc(C2CC2)c1.
What is the InChIKey of (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate?
The InChIKey is VRLPLKPBHZLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,3)13-11(14)15-9-6-10(16-7-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate?
(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate has a molecular weight of 239.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175215163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).