(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone

C14H25NOS — CID 103595172

IUPAC(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCC1CC(C)CC(C(=O)C2CSCCN2C)C1
InChIInChI=1S/C14H25NOS/c1-10-6-11(2)8-12(7-10)14(16)13-9-17-5-4-15(13)3/h10-13H,4-9H2,1-3H3
InChIKeyVOTMFKGZTIYTII-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.67
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone

(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone (PubChem CID 103595172) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone
PubChem CID103595172
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCC1CC(C)CC(C(=O)C2CSCCN2C)C1
InChIInChI=1S/C14H25NOS/c1-10-6-11(2)8-12(7-10)14(16)13-9-17-5-4-15(13)3/h10-13H,4-9H2,1-3H3
InChIKeyVOTMFKGZTIYTII-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
CID 103595318
N'-hydroxy-4-methylthiomorpholine-3-carboximidamide
CID 103594659
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595353
1-(4-methylthiomorpholin-3-yl)hex-5-yn-1-one
CID 103595438
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
CID 103595186
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-one
CID 103595307
2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 164660138
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 103595309
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
CID 107359505
1-(4-methylthiomorpholin-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 103595383
(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595300
1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 103595434

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone (CID 103595172) is (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone is CC1CC(C)CC(C(=O)C2CSCCN2C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone?
The InChIKey is VOTMFKGZTIYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-10-6-11(2)8-12(7-10)14(16)13-9-17-5-4-15(13)3/h10-13H,4-9H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone?
(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone has a molecular weight of 255.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone is sourced from PubChem (CID 103595172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).