2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one

C12H24N2OS — CID 65228076

IUPAC2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C12H24N2OS/c1-4-5-11(6-13)12(15)14-7-9(2)16-10(3)8-14/h9-11H,4-8,13H2,1-3H3
InChIKeyKWSNBQHFLVABLG-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.71
Rot. Bonds4

About 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one

2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one (PubChem CID 65228076) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
PubChem CID65228076
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C12H24N2OS/c1-4-5-11(6-13)12(15)14-7-9(2)16-10(3)8-14/h9-11H,4-8,13H2,1-3H3
InChIKeyKWSNBQHFLVABLG-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 107569802
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106835724
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130626316
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one
CID 63003245
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one (CID 65228076) is 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one is CCCC(CN)C(=O)N1CC(C)SC(C)C1.
What is the InChIKey of 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The InChIKey is KWSNBQHFLVABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-5-11(6-13)12(15)14-7-9(2)16-10(3)8-14/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one has a molecular weight of 244.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 65228076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).