N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H23ClN2O2S — CID 119936153

IUPACN-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11(2)19-14-5-3-12(4-6-14)17-15(18)9-13-10-20-8-7-16-13;/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18);1H
InChIKeyCYNOKXZTUSLYSI-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.93
Rot. Bonds5

About N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936153) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936153
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11(2)19-14-5-3-12(4-6-14)17-15(18)9-13-10-20-8-7-16-13;/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18);1H
InChIKeyCYNOKXZTUSLYSI-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939664
N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66422480
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938973

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936153) is N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(C)Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is CYNOKXZTUSLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-11(2)19-14-5-3-12(4-6-14)17-15(18)9-13-10-20-8-7-16-13;/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).