propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate

C11H17NO2S — CID 116656679

IUPACpropan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCC(C)OC(=O)N(C)CCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-11(13)12(3)7-6-10-5-4-8-15-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyIJBRSDYSMBOJAP-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.77
Rot. Bonds4

About propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate

propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 116656679) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
PubChem CID116656679
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namepropan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCC(C)OC(=O)N(C)CCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-11(13)12(3)7-6-10-5-4-8-15-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyIJBRSDYSMBOJAP-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (CID 116656679) is propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is CC(C)OC(=O)N(C)CCc1cccs1.
What is the InChIKey of propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is IJBRSDYSMBOJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)14-11(13)12(3)7-6-10-5-4-8-15-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 116656679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).