N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C19H31Cl2N3O2S — CID 119942278

IUPACN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1cc(NC(=O)CC2CSCCN2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2S.2ClH/c1-15-12-16(21-19(23)13-17-14-25-11-6-20-17)4-5-18(15)24-10-9-22-7-2-3-8-22;;/h4-5,12,17,20H,2-3,6-11,13-14H2,1H3,(H,21,23);2*1H
InChIKeyRKBGSSORHHTYPP-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.35
Rot. Bonds7

About N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119942278) has the molecular formula C19H31Cl2N3O2S and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119942278
Molecular FormulaC19H31Cl2N3O2S
Molecular Weight436.45 g/mol
Exact Mass435.15
IUPAC NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1cc(NC(=O)CC2CSCCN2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2S.2ClH/c1-15-12-16(21-19(23)13-17-14-25-11-6-20-17)4-5-18(15)24-10-9-22-7-2-3-8-22;;/h4-5,12,17,20H,2-3,6-11,13-14H2,1H3,(H,21,23);2*1H
InChIKeyRKBGSSORHHTYPP-UHFFFAOYSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride 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-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119942278) is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cc1cc(NC(=O)CC2CSCCN2)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is RKBGSSORHHTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S.2ClH/c1-15-12-16(21-19(23)13-17-14-25-11-6-20-17)4-5-18(15)24-10-9-22-7-2-3-8-22;;/h4-5,12,17,20H,2-3,6-11,13-14H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 436.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119942278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).