N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide

C13H18N2O2S — CID 119787005

IUPACN-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
SMILESCCSc1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C13H18N2O2S/c1-2-18-11-5-3-4-10(8-11)15-13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyJNBUIFNXAQBKGW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.73
Rot. Bonds4

About N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide

N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide (PubChem CID 119787005) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
PubChem CID119787005
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
SMILESCCSc1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C13H18N2O2S/c1-2-18-11-5-3-4-10(8-11)15-13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyJNBUIFNXAQBKGW-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 137028895
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide (CID 119787005) is N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide is CCSc1cccc(NC(=O)C2COCCN2)c1.
What is the InChIKey of N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide?
The InChIKey is JNBUIFNXAQBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-18-11-5-3-4-10(8-11)15-13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide?
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 119787005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).