N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C11H23ClN2O3S2 — CID 119939158

IUPACN-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C11H22N2O3S2.ClH/c1-9(8-18(3,15)16)13(2)11(14)6-10-7-17-5-4-12-10;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyCZVDVNAYDCJURS-UHFFFAOYSA-N
MW330.90 g/mol
LogP0.39
Rot. Bonds5

About N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939158) has the molecular formula C11H23ClN2O3S2 and a molecular weight of 330.90 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939158
Molecular FormulaC11H23ClN2O3S2
Molecular Weight330.90 g/mol
Exact Mass330.08
IUPAC NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C11H22N2O3S2.ClH/c1-9(8-18(3,15)16)13(2)11(14)6-10-7-17-5-4-12-10;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyCZVDVNAYDCJURS-UHFFFAOYSA-N
XLogP0.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786372
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one
CID 106736604
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420866
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938342
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939158) is N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(CS(C)(=O)=O)N(C)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is CZVDVNAYDCJURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S2.ClH/c1-9(8-18(3,15)16)13(2)11(14)6-10-7-17-5-4-12-10;/h9-10,12H,4-8H2,1-3H3;1H.
What are the key properties of N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).