N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide

C17H24N2O3S — CID 84593108

IUPACN-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-11-23(20,21)18-15-7-9-19(10-8-15)12-14-13-22-17-6-4-3-5-16(14)17/h3-6,13,15,18H,2,7-12H2,1H3
InChIKeyXCVNPVZSLWOCPM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.73
Rot. Bonds6

About N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 84593108) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID84593108
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-11-23(20,21)18-15-7-9-19(10-8-15)12-14-13-22-17-6-4-3-5-16(14)17/h3-6,13,15,18H,2,7-12H2,1H3
InChIKeyXCVNPVZSLWOCPM-UHFFFAOYSA-N
XLogP2.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(propylsulfonylamino)piperidin-1-yl]methyl]benzoic acid
CID 138003771
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307025
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120902824
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]-N-(methylsulfamoyl)cyclohexan-1-amine
CID 71002623
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
N-[1-[(E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674275
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide (CID 84593108) is N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(Cc2coc3ccccc23)CC1.
What is the InChIKey of N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is XCVNPVZSLWOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-11-23(20,21)18-15-7-9-19(10-8-15)12-14-13-22-17-6-4-3-5-16(14)17/h3-6,13,15,18H,2,7-12H2,1H3.
What are the key properties of N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 84593108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).