1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine

C14H23N3O3S — CID 146104312

IUPAC1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
SMILESCOc1cnccc1C(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-11(13-6-7-15-10-14(13)20-2)16-9-12-5-4-8-17(12)21(3,18)19/h6-7,10-12,16H,4-5,8-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyMYVMGQBVTHLFRO-PIJUOVFKSA-N
MW313.42 g/mol
LogP1.16
Rot. Bonds6

About 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine

1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 146104312) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID146104312
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
SMILESCOc1cnccc1C(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-11(13-6-7-15-10-14(13)20-2)16-9-12-5-4-8-17(12)21(3,18)19/h6-7,10-12,16H,4-5,8-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyMYVMGQBVTHLFRO-PIJUOVFKSA-N
XLogP1.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine (CID 146104312) is 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine is COc1cnccc1C(C)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is MYVMGQBVTHLFRO-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(13-6-7-15-10-14(13)20-2)16-9-12-5-4-8-17(12)21(3,18)19/h6-7,10-12,16H,4-5,8-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 313.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 146104312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).