N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide

C14H20N2O2S — CID 82906619

IUPACN-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-13-6-4-3-5-11(13)16-14(17)12-9-19-8-7-15-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyRDMXLSWWUPNSLA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.12
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide

N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906619) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
PubChem CID82906619
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-13-6-4-3-5-11(13)16-14(17)12-9-19-8-7-15-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyRDMXLSWWUPNSLA-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82908618
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
1-N-(2,3-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141935
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide (CID 82906619) is N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide?
The InChIKey is RDMXLSWWUPNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)18-13-6-4-3-5-11(13)16-14(17)12-9-19-8-7-15-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide?
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).