(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone

C13H23NOS — CID 116609466

IUPAC(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
SMILESCCC1CCCC(C(=O)C2CSCCN2)C1
InChIInChI=1S/C13H23NOS/c1-2-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyGFYBESCJKSKPDX-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.48
Rot. Bonds3

About (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone

(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone (PubChem CID 116609466) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
PubChem CID116609466
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
SMILESCCC1CCCC(C(=O)C2CSCCN2)C1
InChIInChI=1S/C13H23NOS/c1-2-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyGFYBESCJKSKPDX-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone
CID 116609501
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
CID 116585944
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone
CID 103345005
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
CID 106135048
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
CID 79034769
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone (CID 116609466) is (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone is CCC1CCCC(C(=O)C2CSCCN2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The InChIKey is GFYBESCJKSKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-2-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone?
(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone has a molecular weight of 241.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).