N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C11H21ClF2N2OS — CID 119938342

IUPACN-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCCN(CC(F)F)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C11H20F2N2OS.ClH/c1-2-4-15(7-10(12)13)11(16)6-9-8-17-5-3-14-9;/h9-10,14H,2-8H2,1H3;1H
InChIKeyOMLULBSPZMFJLR-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.01
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938342) has the molecular formula C11H21ClF2N2OS and a molecular weight of 302.82 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938342
Molecular FormulaC11H21ClF2N2OS
Molecular Weight302.82 g/mol
Exact Mass302.10
IUPAC NameN-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCCN(CC(F)F)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C11H20F2N2OS.ClH/c1-2-4-15(7-10(12)13)11(16)6-9-8-17-5-3-14-9;/h9-10,14H,2-8H2,1H3;1H
InChIKeyOMLULBSPZMFJLR-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
CID 66422844
N-(2-ethoxyethyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 66422301
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
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-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938342) is N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CCCN(CC(F)F)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is OMLULBSPZMFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2OS.ClH/c1-2-4-15(7-10(12)13)11(16)6-9-8-17-5-3-14-9;/h9-10,14H,2-8H2,1H3;1H.
What are the key properties of N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).