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

C17H21FN2O2S — CID 44610722

IUPACN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESCc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12
InChIInChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyLNIDNIKEDAQTOW-MRXNPFEDSA-N
MW336.43 g/mol
LogP2.41
Rot. Bonds4

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

N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 44610722) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID44610722
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESCc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12
InChIInChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyLNIDNIKEDAQTOW-MRXNPFEDSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (CID 44610722) is N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12.
What is the InChIKey of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LNIDNIKEDAQTOW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 44610722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).