N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

C18H24N2O3S — CID 95205463

IUPACN-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2ccccc2CN2CC[C@H](CNS(C)(=O)=O)C2)o1
InChIInChI=1S/C18H24N2O3S/c1-14-7-8-18(23-14)17-6-4-3-5-16(17)13-20-10-9-15(12-20)11-19-24(2,21)22/h3-8,15,19H,9-13H2,1-2H3/t15-/m1/s1
InChIKeyORCMHWHCYKFOLX-OAHLLOKOSA-N
MW348.47 g/mol
LogP2.63
Rot. Bonds6

About N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 95205463) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID95205463
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2ccccc2CN2CC[C@H](CNS(C)(=O)=O)C2)o1
InChIInChI=1S/C18H24N2O3S/c1-14-7-8-18(23-14)17-6-4-3-5-16(17)13-20-10-9-15(12-20)11-19-24(2,21)22/h3-8,15,19H,9-13H2,1-2H3/t15-/m1/s1
InChIKeyORCMHWHCYKFOLX-OAHLLOKOSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 95205463) is N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is Cc1ccc(-c2ccccc2CN2CC[C@H](CNS(C)(=O)=O)C2)o1.
What is the InChIKey of N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ORCMHWHCYKFOLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-7-8-18(23-14)17-6-4-3-5-16(17)13-20-10-9-15(12-20)11-19-24(2,21)22/h3-8,15,19H,9-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95205463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).