6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H26N2O3S — CID 119033725

IUPAC6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-22-15-8-9-16-13(11-15)5-3-7-17(16)18-12-14-6-4-10-19(14)23(2,20)21/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3/t14-,17?/m1/s1
InChIKeyGDBSZJXLTJYIQE-XPCCGILXSA-N
MW338.47 g/mol
LogP2.09
Rot. Bonds5

About 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 119033725) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID119033725
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-22-15-8-9-16-13(11-15)5-3-7-17(16)18-12-14-6-4-10-19(14)23(2,20)21/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3/t14-,17?/m1/s1
InChIKeyGDBSZJXLTJYIQE-XPCCGILXSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 119033725) is 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GDBSZJXLTJYIQE-XPCCGILXSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-15-8-9-16-13(11-15)5-3-7-17(16)18-12-14-6-4-10-19(14)23(2,20)21/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3/t14-,17?/m1/s1.
What are the key properties of 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 338.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 119033725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).