N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

C18H24N2O3S — CID 56747250

IUPACN-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCc1c(CN2CCC(CNS(=O)(=O)C3CC3)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-13-16-4-2-3-5-17(16)23-18(13)12-20-9-8-14(11-20)10-19-24(21,22)15-6-7-15/h2-5,14-15,19H,6-12H2,1H3
InChIKeyKSUQOTPEMVSCAB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.64
Rot. Bonds6

About N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 56747250) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID56747250
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCc1c(CN2CCC(CNS(=O)(=O)C3CC3)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-13-16-4-2-3-5-17(16)23-18(13)12-20-9-8-14(11-20)10-19-24(21,22)15-6-7-15/h2-5,14-15,19H,6-12H2,1H3
InChIKeyKSUQOTPEMVSCAB-UHFFFAOYSA-N
XLogP2.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,8aR)-1-[2-(methylamino)ethyl]-6-[(3-methyl-1-benzofuran-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;dihydrochloride
CID 154889145
1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77083392
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 95202988
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138809629
4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
CID 136536764
1-ethyl-2-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111603057
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95205463
(3S)-N,1-dimethyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-amine
CID 124680311
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111603464
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (CID 56747250) is N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is Cc1c(CN2CCC(CNS(=O)(=O)C3CC3)C2)oc2ccccc12.
What is the InChIKey of N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is KSUQOTPEMVSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-16-4-2-3-5-17(16)23-18(13)12-20-9-8-14(11-20)10-19-24(21,22)15-6-7-15/h2-5,14-15,19H,6-12H2,1H3.
What are the key properties of N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 56747250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).