N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine

C14H23N3O2S2 — CID 66382058

IUPACN-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C14H23N3O2S2/c1-11(2)15-9-12-5-4-6-13(16-12)17-7-8-20-10-14(17)21(3,18)19/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyVMYQZHLSOYLEJL-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.50
Rot. Bonds5

About N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 66382058) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID66382058
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C14H23N3O2S2/c1-11(2)15-9-12-5-4-6-13(16-12)17-7-8-20-10-14(17)21(3,18)19/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyVMYQZHLSOYLEJL-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine (CID 66382058) is N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(N2CCSCC2S(C)(=O)=O)n1.
What is the InChIKey of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is VMYQZHLSOYLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-11(2)15-9-12-5-4-6-13(16-12)17-7-8-20-10-14(17)21(3,18)19/h4-6,11,14-15H,7-10H2,1-3H3.
What are the key properties of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 66382058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).