N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide

C12H18N2O2S — CID 113254231

IUPACN-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1ccsc1CNC(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-10-3-8-17-11(10)9-13-12(15)14-4-6-16-7-5-14/h3,8H,2,4-7,9H2,1H3,(H,13,15)
InChIKeyCGKAHOIGEXMSJE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.85
Rot. Bonds3

About N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide

N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 113254231) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
PubChem CID113254231
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1ccsc1CNC(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-10-3-8-17-11(10)9-13-12(15)14-4-6-16-7-5-14/h3,8H,2,4-7,9H2,1H3,(H,13,15)
InChIKeyCGKAHOIGEXMSJE-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide (CID 113254231) is N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide is CCc1ccsc1CNC(=O)N1CCOCC1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is CGKAHOIGEXMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-10-3-8-17-11(10)9-13-12(15)14-4-6-16-7-5-14/h3,8H,2,4-7,9H2,1H3,(H,13,15).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide?
N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 113254231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).