5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride

C13H22ClN3O2S — CID 119392043

IUPAC5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCCN2CCNCC2)o1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-19-12-4-3-11(18-12)13(17)15-5-2-8-16-9-6-14-7-10-16;/h3-4,14H,2,5-10H2,1H3,(H,15,17);1H
InChIKeySRWGWKZTPJZJRQ-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.45
Rot. Bonds6

About 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride

5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride (PubChem CID 119392043) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
PubChem CID119392043
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCCN2CCNCC2)o1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-19-12-4-3-11(18-12)13(17)15-5-2-8-16-9-6-14-7-10-16;/h3-4,14H,2,5-10H2,1H3,(H,15,17);1H
InChIKeySRWGWKZTPJZJRQ-UHFFFAOYSA-N
XLogP1.45
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
CID 119406286
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride (CID 119392043) is 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride is CSc1ccc(C(=O)NCCCN2CCNCC2)o1.Cl.
What is the InChIKey of 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The InChIKey is SRWGWKZTPJZJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-19-12-4-3-11(18-12)13(17)15-5-2-8-16-9-6-14-7-10-16;/h3-4,14H,2,5-10H2,1H3,(H,15,17);1H.
What are the key properties of 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119392043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).