N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

C15H31Cl2N3O2S — CID 119940987

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(C)C(CNC(=O)CC1CSCCN1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H29N3O2S.2ClH/c1-12(2)14(18-4-6-20-7-5-18)10-17-15(19)9-13-11-21-8-3-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyURMDXZLZUONPTK-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.40
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119940987) has the molecular formula C15H31Cl2N3O2S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119940987
Molecular FormulaC15H31Cl2N3O2S
Molecular Weight388.41 g/mol
Exact Mass387.15
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCC(C)C(CNC(=O)CC1CSCCN1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H29N3O2S.2ClH/c1-12(2)14(18-4-6-20-7-5-18)10-17-15(19)9-13-11-21-8-3-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyURMDXZLZUONPTK-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide
CID 119941216
N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941285
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119942614
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941703
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940421
N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
CID 61363910

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119940987) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is CC(C)C(CNC(=O)CC1CSCCN1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is URMDXZLZUONPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S.2ClH/c1-12(2)14(18-4-6-20-7-5-18)10-17-15(19)9-13-11-21-8-3-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 388.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119940987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).