2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate

C15H21N3O3S — CID 71168964

IUPAC2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate
SMILESCCc1sc(NC(=O)OCCN2CCOCC2)c(C#N)c1C
InChIInChI=1S/C15H21N3O3S/c1-3-13-11(2)12(10-16)14(22-13)17-15(19)21-9-6-18-4-7-20-8-5-18/h3-9H2,1-2H3,(H,17,19)
InChIKeyZFPILMCTXRZHIS-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.37
Rot. Bonds5

About 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate

2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate (PubChem CID 71168964) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate
PubChem CID71168964
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate
SMILESCCc1sc(NC(=O)OCCN2CCOCC2)c(C#N)c1C
InChIInChI=1S/C15H21N3O3S/c1-3-13-11(2)12(10-16)14(22-13)17-15(19)21-9-6-18-4-7-20-8-5-18/h3-9H2,1-2H3,(H,17,19)
InChIKeyZFPILMCTXRZHIS-UHFFFAOYSA-N
XLogP2.37
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate (CID 71168964) is 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate is CCc1sc(NC(=O)OCCN2CCOCC2)c(C#N)c1C.
What is the InChIKey of 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate?
The InChIKey is ZFPILMCTXRZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-13-11(2)12(10-16)14(22-13)17-15(19)21-9-6-18-4-7-20-8-5-18/h3-9H2,1-2H3,(H,17,19).
What are the key properties of 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate?
2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate has a molecular weight of 323.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate is sourced from PubChem (CID 71168964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).