(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone

C13H23NOS — CID 116609501

IUPAC(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone
SMILESCC1CCC(C(=O)C2CSCCN2)CC1C
InChIInChI=1S/C13H23NOS/c1-9-3-4-11(7-10(9)2)13(15)12-8-16-6-5-14-12/h9-12,14H,3-8H2,1-2H3
InChIKeyHYEBXFAKVPOHHH-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.33
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone

(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone (PubChem CID 116609501) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone
PubChem CID116609501
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone
SMILESCC1CCC(C(=O)C2CSCCN2)CC1C
InChIInChI=1S/C13H23NOS/c1-9-3-4-11(7-10(9)2)13(15)12-8-16-6-5-14-12/h9-12,14H,3-8H2,1-2H3
InChIKeyHYEBXFAKVPOHHH-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
CID 116609466
cyclopentyl-(3,4-dimethylcyclohexyl)methanone
CID 64739226
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3,4-dimethylcyclohexyl)methanone
CID 116549198
(3R)-thiomorpholine-3-carboxamide
CID 41097978
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82917114
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone (CID 116609501) is (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone is CC1CCC(C(=O)C2CSCCN2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone?
The InChIKey is HYEBXFAKVPOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-9-3-4-11(7-10(9)2)13(15)12-8-16-6-5-14-12/h9-12,14H,3-8H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone?
(3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone has a molecular weight of 241.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).