N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C14H29Cl2N3OS — CID 119941640

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)CC2CSCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-17-7-3-12(4-8-17)2-5-16-14(18)10-13-11-19-9-6-15-13;;/h12-13,15H,2-11H2,1H3,(H,16,18);2*1H
InChIKeyIKYMFWRAQNDCEP-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941640) has the molecular formula C14H29Cl2N3OS and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941640
Molecular FormulaC14H29Cl2N3OS
Molecular Weight358.38 g/mol
Exact Mass357.14
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)CC2CSCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-17-7-3-12(4-8-17)2-5-16-14(18)10-13-11-19-9-6-15-13;;/h12-13,15H,2-11H2,1H3,(H,16,18);2*1H
InChIKeyIKYMFWRAQNDCEP-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941252
N-[4-(3-methylpiperidin-1-yl)butyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941291
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-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941640) is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CN1CCC(CCNC(=O)CC2CSCCN2)CC1.Cl.Cl.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is IKYMFWRAQNDCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS.2ClH/c1-17-7-3-12(4-8-17)2-5-16-14(18)10-13-11-19-9-6-15-13;;/h12-13,15H,2-11H2,1H3,(H,16,18);2*1H.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 358.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).