N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C16H27N3S — CID 80635386

IUPACN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H27N3S/c1-11(2)17-7-15-6-12(3)16(18-8-15)19-9-13(4)20-14(5)10-19/h6,8,11,13-14,17H,7,9-10H2,1-5H3
InChIKeyVCFLBQBCBADGMJ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.22
Rot. Bonds4

About N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80635386) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80635386
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H27N3S/c1-11(2)17-7-15-6-12(3)16(18-8-15)19-9-13(4)20-14(5)10-19/h6,8,11,13-14,17H,7,9-10H2,1-5H3
InChIKeyVCFLBQBCBADGMJ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80635386) is N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1N1CC(C)SC(C)C1.
What is the InChIKey of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VCFLBQBCBADGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-11(2)17-7-15-6-12(3)16(18-8-15)19-9-13(4)20-14(5)10-19/h6,8,11,13-14,17H,7,9-10H2,1-5H3.
What are the key properties of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80635386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).