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

C14H29Cl2N3O2S — CID 119941285

IUPACN-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)NCCCCN1CCOCC1
InChIInChI=1S/C14H27N3O2S.2ClH/c18-14(11-13-12-20-10-4-15-13)16-3-1-2-5-17-6-8-19-9-7-17;;/h13,15H,1-12H2,(H,16,18);2*1H
InChIKeyACUZAGMCTKUNDR-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.15
Rot. Bonds7

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

N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941285) has the molecular formula C14H29Cl2N3O2S and a molecular weight of 374.38 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941285
Molecular FormulaC14H29Cl2N3O2S
Molecular Weight374.38 g/mol
Exact Mass373.14
IUPAC NameN-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)NCCCCN1CCOCC1
InChIInChI=1S/C14H27N3O2S.2ClH/c18-14(11-13-12-20-10-4-15-13)16-3-1-2-5-17-6-8-19-9-7-17;;/h13,15H,1-12H2,(H,16,18);2*1H
InChIKeyACUZAGMCTKUNDR-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[4-(3-methylpiperidin-1-yl)butyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941291
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940987
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935650

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941285) is N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)NCCCCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is ACUZAGMCTKUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S.2ClH/c18-14(11-13-12-20-10-4-15-13)16-3-1-2-5-17-6-8-19-9-7-17;;/h13,15H,1-12H2,(H,16,18);2*1H.
What are the key properties of N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 374.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).