3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol

C17H24N4O4S — CID 133490784

IUPAC3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(CCO)c3ccco3)nc2)CC1
InChIInChI=1S/C17H24N4O4S/c1-20-7-9-21(10-8-20)26(23,24)14-4-5-17(18-13-14)19-15(6-11-22)16-3-2-12-25-16/h2-5,12-13,15,22H,6-11H2,1H3,(H,18,19)
InChIKeyXVFNFSVNCKBDAU-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.15
Rot. Bonds7

About 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol

3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol (PubChem CID 133490784) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
PubChem CID133490784
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(CCO)c3ccco3)nc2)CC1
InChIInChI=1S/C17H24N4O4S/c1-20-7-9-21(10-8-20)26(23,24)14-4-5-17(18-13-14)19-15(6-11-22)16-3-2-12-25-16/h2-5,12-13,15,22H,6-11H2,1H3,(H,18,19)
InChIKeyXVFNFSVNCKBDAU-UHFFFAOYSA-N
XLogP1.15
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol with MolForge

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Related Compounds

3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 133490659
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133307787
(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 96510190
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267408
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol (CID 133490784) is 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol is CN1CCN(S(=O)(=O)c2ccc(NC(CCO)c3ccco3)nc2)CC1.
What is the InChIKey of 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol?
The InChIKey is XVFNFSVNCKBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-20-7-9-21(10-8-20)26(23,24)14-4-5-17(18-13-14)19-15(6-11-22)16-3-2-12-25-16/h2-5,12-13,15,22H,6-11H2,1H3,(H,18,19).
What are the key properties of 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol?
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol has a molecular weight of 380.47 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 133490784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).