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

C15H25N3S — CID 106906683

IUPACN-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCSCC2C)n1
InChIInChI=1S/C15H25N3S/c1-12(2)16-9-14-5-4-6-15(17-14)10-18-7-8-19-11-13(18)3/h4-6,12-13,16H,7-11H2,1-3H3
InChIKeyIMIRLUDPQRZMOQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.52
Rot. Bonds5

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

N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106906683) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106906683
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCSCC2C)n1
InChIInChI=1S/C15H25N3S/c1-12(2)16-9-14-5-4-6-15(17-14)10-18-7-8-19-11-13(18)3/h4-6,12-13,16H,7-11H2,1-3H3
InChIKeyIMIRLUDPQRZMOQ-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 66382058
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464140
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
1-[6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 114087777
N-[[6-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905866
N-[[6-[(2,2,6-trimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906272
N-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62280987

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106906683) is N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(CN2CCSCC2C)n1.
What is the InChIKey of N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is IMIRLUDPQRZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12(2)16-9-14-5-4-6-15(17-14)10-18-7-8-19-11-13(18)3/h4-6,12-13,16H,7-11H2,1-3H3.
What are the key properties of N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106906683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).