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

C16H27N3S — CID 105074010

IUPACN-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cnccc2CNC(C)(C)C)CC(C)S1
InChIInChI=1S/C16H27N3S/c1-12-10-19(11-13(2)20-12)15-9-17-7-6-14(15)8-18-16(3,4)5/h6-7,9,12-13,18H,8,10-11H2,1-5H3
InChIKeyFRERLTMOHKFNDX-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.30
Rot. Bonds3

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

N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 105074010) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID105074010
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cnccc2CNC(C)(C)C)CC(C)S1
InChIInChI=1S/C16H27N3S/c1-12-10-19(11-13(2)20-12)15-9-17-7-6-14(15)8-18-16(3,4)5/h6-7,9,12-13,18H,8,10-11H2,1-5H3
InChIKeyFRERLTMOHKFNDX-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 105074010) is N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC1CN(c2cnccc2CNC(C)(C)C)CC(C)S1.
What is the InChIKey of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FRERLTMOHKFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-10-19(11-13(2)20-12)15-9-17-7-6-14(15)8-18-16(3,4)5/h6-7,9,12-13,18H,8,10-11H2,1-5H3.
What are the key properties of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105074010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).