N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H25ClN2OS — CID 119934945

IUPACN-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)(C)c1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)12-4-6-13(7-5-12)18-15(19)10-14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyOZJFZGZYGRELCV-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.44
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119934945) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119934945
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)(C)c1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)12-4-6-13(7-5-12)18-15(19)10-14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyOZJFZGZYGRELCV-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119934945) is N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(C)(C)c1ccc(NC(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is OZJFZGZYGRELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-16(2,3)12-4-6-13(7-5-12)18-15(19)10-14-11-20-9-8-17-14;/h4-7,14,17H,8-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119934945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).