N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H21ClN2OS — CID 119935026

IUPACN-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-11(2)7-12(6-10)16-14(17)8-13-9-18-4-3-15-13;/h5-7,13,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyGCRKBMSDBNWURO-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.76
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935026) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935026
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10-5-11(2)7-12(6-10)16-14(17)8-13-9-18-4-3-15-13;/h5-7,13,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyGCRKBMSDBNWURO-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
ethyl 1-methyl-4-[(2-thiomorpholin-3-ylacetyl)amino]pyrrole-2-carboxylate;hydrochloride
CID 119940391
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935026) is N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1cc(C)cc(NC(=O)CC2CSCCN2)c1.Cl.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is GCRKBMSDBNWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-10-5-11(2)7-12(6-10)16-14(17)8-13-9-18-4-3-15-13;/h5-7,13,15H,3-4,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).