N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C13H27Cl2N3OS — CID 119941344

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCCN1CCC(CNC(=O)CC2CSCCN2)C1.Cl.Cl
InChIInChI=1S/C13H25N3OS.2ClH/c1-2-16-5-3-11(9-16)8-15-13(17)7-12-10-18-6-4-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyBMNQOYACKVRXCM-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.38
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941344) has the molecular formula C13H27Cl2N3OS and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941344
Molecular FormulaC13H27Cl2N3OS
Molecular Weight344.35 g/mol
Exact Mass343.13
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCCN1CCC(CNC(=O)CC2CSCCN2)C1.Cl.Cl
InChIInChI=1S/C13H25N3OS.2ClH/c1-2-16-5-3-11(9-16)8-15-13(17)7-12-10-18-6-4-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyBMNQOYACKVRXCM-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942526
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119942614
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 80600876

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941344) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is CCN1CCC(CNC(=O)CC2CSCCN2)C1.Cl.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is BMNQOYACKVRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS.2ClH/c1-2-16-5-3-11(9-16)8-15-13(17)7-12-10-18-6-4-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 344.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).