N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide

C14H20N2O4S — CID 82906249

IUPACN-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSCCN2)cc(OC)c1OC
InChIInChI=1S/C14H20N2O4S/c1-18-11-6-9(7-12(19-2)13(11)20-3)16-14(17)10-8-21-5-4-15-10/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVOHDWNSPTGSAPJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.36
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide

N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906249) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
PubChem CID82906249
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSCCN2)cc(OC)c1OC
InChIInChI=1S/C14H20N2O4S/c1-18-11-6-9(7-12(19-2)13(11)20-3)16-14(17)10-8-21-5-4-15-10/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVOHDWNSPTGSAPJ-UHFFFAOYSA-N
XLogP1.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
3-chloro-5-(thiomorpholine-3-carbonylamino)benzoic acid
CID 82917929
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide (CID 82906249) is N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide is COc1cc(NC(=O)C2CSCCN2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide?
The InChIKey is VOHDWNSPTGSAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-18-11-6-9(7-12(19-2)13(11)20-3)16-14(17)10-8-21-5-4-15-10/h6-7,10,15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide?
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).