N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C12H23ClN2OS2 — CID 119940106

IUPACN-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1(CNC(=O)CC2CSCCN2)CCCS1.Cl
InChIInChI=1S/C12H22N2OS2.ClH/c1-12(3-2-5-17-12)9-14-11(15)7-10-8-16-6-4-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyOJFDYYPHRYPXED-UHFFFAOYSA-N
MW310.92 g/mol
LogP1.91
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940106) has the molecular formula C12H23ClN2OS2 and a molecular weight of 310.92 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940106
Molecular FormulaC12H23ClN2OS2
Molecular Weight310.92 g/mol
Exact Mass310.09
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1(CNC(=O)CC2CSCCN2)CCCS1.Cl
InChIInChI=1S/C12H22N2OS2.ClH/c1-12(3-2-5-17-12)9-14-11(15)7-10-8-16-6-4-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyOJFDYYPHRYPXED-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.92
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940507
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736660
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940106) is N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC1(CNC(=O)CC2CSCCN2)CCCS1.Cl.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is OJFDYYPHRYPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2.ClH/c1-12(3-2-5-17-12)9-14-11(15)7-10-8-16-6-4-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 310.92 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).