6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride

C13H24ClN3O2S — CID 119936929

IUPAC6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CCC(C(N)=O)CN1C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-9-2-3-10(13(14)18)7-16(9)12(17)6-11-8-19-5-4-15-11;/h9-11,15H,2-8H2,1H3,(H2,14,18);1H
InChIKeyYGVSOIGLESZBEZ-UHFFFAOYSA-N
MW321.87 g/mol
LogP0.62
Rot. Bonds3

About 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride

6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119936929) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119936929
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC Name6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CCC(C(N)=O)CN1C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-9-2-3-10(13(14)18)7-16(9)12(17)6-11-8-19-5-4-15-11;/h9-11,15H,2-8H2,1H3,(H2,14,18);1H
InChIKeyYGVSOIGLESZBEZ-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;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

6-methyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-3-carboxamide
CID 61366636
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119936744
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942030
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
CID 115746768

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride (CID 119936929) is 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride is CC1CCC(C(N)=O)CN1C(=O)CC1CSCCN1.Cl.
What is the InChIKey of 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is YGVSOIGLESZBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c1-9-2-3-10(13(14)18)7-16(9)12(17)6-11-8-19-5-4-15-11;/h9-11,15H,2-8H2,1H3,(H2,14,18);1H.
What are the key properties of 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride?
6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119936929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).