3-cyclopropyl-2,5,5-trimethylthiomorpholine

C10H19NS — CID 66231329

IUPAC3-cyclopropyl-2,5,5-trimethylthiomorpholine
SMILESCC1SCC(C)(C)NC1C1CC1
InChIInChI=1S/C10H19NS/c1-7-9(8-4-5-8)11-10(2,3)6-12-7/h7-9,11H,4-6H2,1-3H3
InChIKeyGNIJLTBIJGMKBD-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds1

About 3-cyclopropyl-2,5,5-trimethylthiomorpholine

3-cyclopropyl-2,5,5-trimethylthiomorpholine (PubChem CID 66231329) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-cyclopropyl-2,5,5-trimethylthiomorpholine.

Molecular Properties

Compound Name3-cyclopropyl-2,5,5-trimethylthiomorpholine
PubChem CID66231329
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-cyclopropyl-2,5,5-trimethylthiomorpholine
SMILESCC1SCC(C)(C)NC1C1CC1
InChIInChI=1S/C10H19NS/c1-7-9(8-4-5-8)11-10(2,3)6-12-7/h7-9,11H,4-6H2,1-3H3
InChIKeyGNIJLTBIJGMKBD-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-methyl-1,4-thiazepane
CID 66218764
3-cyclopropyl-5-ethyl-2-methylthiomorpholine
CID 66227956
4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine
CID 126996533
2,3,4,4-tetramethylthiolane
CID 66729842
2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole
CID 130375164
5-cyclobutyl-3,3-dimethylthiomorpholine
CID 126985980
2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide
CID 80500634
2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide
CID 66228290
2-(3,5-difluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 106531979
4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine
CID 130917975
2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686
2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
CID 66227818

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,5,5-trimethylthiomorpholine?
The IUPAC name of 3-cyclopropyl-2,5,5-trimethylthiomorpholine (CID 66231329) is 3-cyclopropyl-2,5,5-trimethylthiomorpholine.
What is the SMILES notation for 3-cyclopropyl-2,5,5-trimethylthiomorpholine?
The canonical SMILES for 3-cyclopropyl-2,5,5-trimethylthiomorpholine is CC1SCC(C)(C)NC1C1CC1.
What is the InChIKey of 3-cyclopropyl-2,5,5-trimethylthiomorpholine?
The InChIKey is GNIJLTBIJGMKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-7-9(8-4-5-8)11-10(2,3)6-12-7/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-2,5,5-trimethylthiomorpholine?
3-cyclopropyl-2,5,5-trimethylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,5,5-trimethylthiomorpholine is sourced from PubChem (CID 66231329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).