N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide

C13H18N2OS2 — CID 82909130

IUPACN-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C13H18N2OS2/c1-2-18-12-6-4-3-5-10(12)15-13(16)11-9-17-8-7-14-11/h3-6,11,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyIUYAHBINYHFKCA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.44
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide

N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82909130) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
PubChem CID82909130
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C13H18N2OS2/c1-2-18-12-6-4-3-5-10(12)15-13(16)11-9-17-8-7-14-11/h3-6,11,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyIUYAHBINYHFKCA-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43704766
N-(2-ethylsulfanylphenyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154915150
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
CID 82906578
2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
CID 82239236
N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24711846
N-(2-methylsulfanylphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798034
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide (CID 82909130) is N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide is CCSc1ccccc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is IUYAHBINYHFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-18-12-6-4-3-5-10(12)15-13(16)11-9-17-8-7-14-11/h3-6,11,14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide?
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).