6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one

C12H23NOS — CID 106801591

IUPAC6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCSC(C)(C)C1
InChIInChI=1S/C12H23NOS/c1-4-11(14)6-5-7-13-8-9-15-12(2,3)10-13/h4-10H2,1-3H3
InChIKeyAXSWPUWEKZQQMW-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.57
Rot. Bonds5

About 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one

6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one (PubChem CID 106801591) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one.

Molecular Properties

Compound Name6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
PubChem CID106801591
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCSC(C)(C)C1
InChIInChI=1S/C12H23NOS/c1-4-11(14)6-5-7-13-8-9-15-12(2,3)10-13/h4-10H2,1-3H3
InChIKeyAXSWPUWEKZQQMW-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
CID 106801627
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
CID 130162029
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
4-butyl-7,7-dimethyl-1,4-thiazepane
CID 130684561
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
CID 116680473
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
CID 115773092
6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
CID 106801147

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one?
The IUPAC name of 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one (CID 106801591) is 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one.
What is the SMILES notation for 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one?
The canonical SMILES for 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one is CCC(=O)CCCN1CCSC(C)(C)C1.
What is the InChIKey of 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one?
The InChIKey is AXSWPUWEKZQQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-11(14)6-5-7-13-8-9-15-12(2,3)10-13/h4-10H2,1-3H3.
What are the key properties of 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one?
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one has a molecular weight of 229.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one is sourced from PubChem (CID 106801591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).