N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide

C13H18N2O3S — CID 82906449

IUPACN-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSCCN2)cc(OC)c1
InChIInChI=1S/C13H18N2O3S/c1-17-10-5-9(6-11(7-10)18-2)15-13(16)12-8-19-4-3-14-12/h5-7,12,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyFWODQDFYHWYWBW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.35
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide

N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906449) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
PubChem CID82906449
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSCCN2)cc(OC)c1
InChIInChI=1S/C13H18N2O3S/c1-17-10-5-9(6-11(7-10)18-2)15-13(16)12-8-19-4-3-14-12/h5-7,12,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyFWODQDFYHWYWBW-UHFFFAOYSA-N
XLogP1.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
3-chloro-5-(thiomorpholine-3-carbonylamino)benzoic acid
CID 82917929
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide (CID 82906449) is N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide is COc1cc(NC(=O)C2CSCCN2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide?
The InChIKey is FWODQDFYHWYWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-17-10-5-9(6-11(7-10)18-2)15-13(16)12-8-19-4-3-14-12/h5-7,12,14H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide?
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).