5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

C13H18N4O4S — CID 78897205

IUPAC5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESN#CCCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1
InChIInChI=1S/C13H18N4O4S/c14-5-1-2-6-16-7-9-17(10-8-16)22(19,20)12-4-3-11(21-12)13(15)18/h3-4H,1-2,6-10H2,(H2,15,18)
InChIKeyCWWUEXZBSYSHEB-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.01
Rot. Bonds6

About 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 78897205) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID78897205
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESN#CCCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1
InChIInChI=1S/C13H18N4O4S/c14-5-1-2-6-16-7-9-17(10-8-16)22(19,20)12-4-3-11(21-12)13(15)18/h3-4H,1-2,6-10H2,(H2,15,18)
InChIKeyCWWUEXZBSYSHEB-UHFFFAOYSA-N
XLogP-0.01
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 120981052
5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 126777213
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8689243
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8694159
ethyl 3-[[4-(5-carbamoylfuran-2-yl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 55852148
5-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691867
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
5-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295056
5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55963055

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 78897205) is 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is N#CCCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1.
What is the InChIKey of 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is CWWUEXZBSYSHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c14-5-1-2-6-16-7-9-17(10-8-16)22(19,20)12-4-3-11(21-12)13(15)18/h3-4H,1-2,6-10H2,(H2,15,18).
What are the key properties of 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 78897205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).