N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C12H23ClN2O3S2 — CID 119935274

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(C(=O)CC1CSCCN1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H22N2O3S2.ClH/c1-2-14(11-3-6-19(16,17)9-11)12(15)7-10-8-18-5-4-13-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyRWHPFSRWKRWGIY-UHFFFAOYSA-N
MW342.91 g/mol
LogP0.54
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935274) has the molecular formula C12H23ClN2O3S2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935274
Molecular FormulaC12H23ClN2O3S2
Molecular Weight342.91 g/mol
Exact Mass342.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(C(=O)CC1CSCCN1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H22N2O3S2.ClH/c1-2-14(11-3-6-19(16,17)9-11)12(15)7-10-8-18-5-4-13-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyRWHPFSRWKRWGIY-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66423067
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66422861
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935274) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CCN(C(=O)CC1CSCCN1)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is RWHPFSRWKRWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2.ClH/c1-2-14(11-3-6-19(16,17)9-11)12(15)7-10-8-18-5-4-13-10;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).