5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride

C13H21ClN2O2S — CID 119556582

IUPAC5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCC2CCCNC2)o1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-18-12-5-4-11(17-12)13(16)15-8-6-10-3-2-7-14-9-10;/h4-5,10,14H,2-3,6-9H2,1H3,(H,15,16);1H
InChIKeyNAGZBDOPSOYJFG-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.54
Rot. Bonds5

About 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride

5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119556582) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
PubChem CID119556582
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCC2CCCNC2)o1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-18-12-5-4-11(17-12)13(16)15-8-6-10-3-2-7-14-9-10;/h4-5,10,14H,2-3,6-9H2,1H3,(H,15,16);1H
InChIKeyNAGZBDOPSOYJFG-UHFFFAOYSA-N
XLogP2.54
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride
CID 119558438
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride (CID 119556582) is 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride is CSc1ccc(C(=O)NCCC2CCCNC2)o1.Cl.
What is the InChIKey of 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is NAGZBDOPSOYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-18-12-5-4-11(17-12)13(16)15-8-6-10-3-2-7-14-9-10;/h4-5,10,14H,2-3,6-9H2,1H3,(H,15,16);1H.
What are the key properties of 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).