N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C14H23Cl2N3OS — CID 119941042

IUPACN-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(C)c1ccccc1NC(=O)CC1CSCCN1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(2)13-6-4-3-5-12(13)16-14(18)9-11-10-19-8-7-15-11;;/h3-6,11,15H,7-10H2,1-2H3,(H,16,18);2*1H
InChIKeyVVQFRIQLHGWZKH-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941042) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941042
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC NameN-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN(C)c1ccccc1NC(=O)CC1CSCCN1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(2)13-6-4-3-5-12(13)16-14(18)9-11-10-19-8-7-15-11;;/h3-6,11,15H,7-10H2,1-2H3,(H,16,18);2*1H
InChIKeyVVQFRIQLHGWZKH-UHFFFAOYSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936955
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941042) is N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CN(C)c1ccccc1NC(=O)CC1CSCCN1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is VVQFRIQLHGWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-17(2)13-6-4-3-5-12(13)16-14(18)9-11-10-19-8-7-15-11;;/h3-6,11,15H,7-10H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).