N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

C17H24N2O3S — CID 70771833

IUPACN-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-3-6-14-10-19(12-16(14)18-23(2,20)21)11-15-9-13-7-4-5-8-17(13)22-15/h4-5,7-9,14,16,18H,3,6,10-12H2,1-2H3/t14-,16-/m1/s1
InChIKeySEWPTAAFSDSPIE-GDBMZVCRSA-N
MW336.46 g/mol
LogP2.58
Rot. Bonds6

About N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70771833) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70771833
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-3-6-14-10-19(12-16(14)18-23(2,20)21)11-15-9-13-7-4-5-8-17(13)22-15/h4-5,7-9,14,16,18H,3,6,10-12H2,1-2H3/t14-,16-/m1/s1
InChIKeySEWPTAAFSDSPIE-GDBMZVCRSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-[(2-cyanophenyl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133130894
N-[3-[3-(1-benzofuran-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 22141304
(3aR,6aS)-5-(1-benzofuran-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660903
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
5-[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124942882
5-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244886
2-[(1R,5S)-3-(1-benzofuran-2-ylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133122579
1-(1-benzofuran-2-ylmethyl)-4-(2-chloro-6-methylphenyl)sulfonylpiperazine
CID 6736936
(1R,5R)-6-(1-benzofuran-2-ylmethyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 72885741
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
(4aS,7aS)-6-(1-benzofuran-2-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887013

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 70771833) is N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SEWPTAAFSDSPIE-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-6-14-10-19(12-16(14)18-23(2,20)21)11-15-9-13-7-4-5-8-17(13)22-15/h4-5,7-9,14,16,18H,3,6,10-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(1-benzofuran-2-ylmethyl)-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70771833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).