N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

C17H22N2O3S — CID 97159828

IUPACN-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc2cc(CN3CC[C@@H](NS(C)(=O)=O)C3)ccc2c1
InChIInChI=1S/C17H22N2O3S/c1-22-17-6-5-14-9-13(3-4-15(14)10-17)11-19-8-7-16(12-19)18-23(2,20)21/h3-6,9-10,16,18H,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyXVUAGCNLJLTHPB-MRXNPFEDSA-N
MW334.44 g/mol
LogP1.97
Rot. Bonds5

About N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 97159828) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID97159828
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc2cc(CN3CC[C@@H](NS(C)(=O)=O)C3)ccc2c1
InChIInChI=1S/C17H22N2O3S/c1-22-17-6-5-14-9-13(3-4-15(14)10-17)11-19-8-7-16(12-19)18-23(2,20)21/h3-6,9-10,16,18H,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyXVUAGCNLJLTHPB-MRXNPFEDSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 97159828) is N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is COc1ccc2cc(CN3CC[C@@H](NS(C)(=O)=O)C3)ccc2c1.
What is the InChIKey of N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XVUAGCNLJLTHPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-17-6-5-14-9-13(3-4-15(14)10-17)11-19-8-7-16(12-19)18-23(2,20)21/h3-6,9-10,16,18H,7-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97159828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).