N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C17H27Cl2N3O2S — CID 119941468

IUPACN-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H25N3O2S.2ClH/c21-17(11-15-13-23-10-5-18-15)19-16-4-2-1-3-14(16)12-20-6-8-22-9-7-20;;/h1-4,15,18H,5-13H2,(H,19,21);2*1H
InChIKeyBUHCEMGBPLSMEB-UHFFFAOYSA-N
MW408.40 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941468) has the molecular formula C17H27Cl2N3O2S and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941468
Molecular FormulaC17H27Cl2N3O2S
Molecular Weight408.40 g/mol
Exact Mass407.12
IUPAC NameN-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H25N3O2S.2ClH/c21-17(11-15-13-23-10-5-18-15)19-16-4-2-1-3-14(16)12-20-6-8-22-9-7-20;;/h1-4,15,18H,5-13H2,(H,19,21);2*1H
InChIKeyBUHCEMGBPLSMEB-UHFFFAOYSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936357
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941468) is N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is BUHCEMGBPLSMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.2ClH/c21-17(11-15-13-23-10-5-18-15)19-16-4-2-1-3-14(16)12-20-6-8-22-9-7-20;;/h1-4,15,18H,5-13H2,(H,19,21);2*1H.
What are the key properties of N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 408.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).