2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride

C18H28ClN3O3S — CID 119938637

IUPAC2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)c(C)o1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-12-9-16(13(2)24-12)18(23)20-14-3-6-21(7-4-14)17(22)10-15-11-25-8-5-19-15;/h9,14-15,19H,3-8,10-11H2,1-2H3,(H,20,23);1H
InChIKeyFYWNOZXGGNXVBC-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.13
Rot. Bonds4

About 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride

2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride (PubChem CID 119938637) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
PubChem CID119938637
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)c(C)o1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-12-9-16(13(2)24-12)18(23)20-14-3-6-21(7-4-14)17(22)10-15-11-25-8-5-19-15;/h9,14-15,19H,3-8,10-11H2,1-2H3,(H,20,23);1H
InChIKeyFYWNOZXGGNXVBC-UHFFFAOYSA-N
XLogP2.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-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

5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
2,5-dimethyl-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 120930813
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride (CID 119938637) is 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCN(C(=O)CC3CSCCN3)CC2)c(C)o1.Cl.
What is the InChIKey of 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is FYWNOZXGGNXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-12-9-16(13(2)24-12)18(23)20-14-3-6-21(7-4-14)17(22)10-15-11-25-8-5-19-15;/h9,14-15,19H,3-8,10-11H2,1-2H3,(H,20,23);1H.
What are the key properties of 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 119938637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).