5-cyclobutyl-3,3-dimethylthiomorpholine

C10H19NS — CID 126985980

IUPAC5-cyclobutyl-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(C2CCC2)N1
InChIInChI=1S/C10H19NS/c1-10(2)7-12-6-9(11-10)8-4-3-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyUSSITMNEDRTXJS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds1

About 5-cyclobutyl-3,3-dimethylthiomorpholine

5-cyclobutyl-3,3-dimethylthiomorpholine (PubChem CID 126985980) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-cyclobutyl-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name5-cyclobutyl-3,3-dimethylthiomorpholine
PubChem CID126985980
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-cyclobutyl-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(C2CCC2)N1
InChIInChI=1S/C10H19NS/c1-10(2)7-12-6-9(11-10)8-4-3-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyUSSITMNEDRTXJS-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

3,3-dimethyl-5-propylthiomorpholine
CID 66229002
3-cyclobutylthiomorpholine
CID 105430849
5-(methoxymethyl)-3,3-dimethylthiomorpholine
CID 107511181
(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 66800001
5-cyclobutylthiomorpholin-3-one
CID 105434903
2-cyclopentyl-4,4-dimethylpyrrolidine
CID 138485504
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 160776877
3-cyclopropyl-2,5,5-trimethylthiomorpholine
CID 66231329
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
CID 66230863
3-cyclopropyl-5-methylthiomorpholine
CID 66220143

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3,3-dimethylthiomorpholine?
The IUPAC name of 5-cyclobutyl-3,3-dimethylthiomorpholine (CID 126985980) is 5-cyclobutyl-3,3-dimethylthiomorpholine.
What is the SMILES notation for 5-cyclobutyl-3,3-dimethylthiomorpholine?
The canonical SMILES for 5-cyclobutyl-3,3-dimethylthiomorpholine is CC1(C)CSCC(C2CCC2)N1.
What is the InChIKey of 5-cyclobutyl-3,3-dimethylthiomorpholine?
The InChIKey is USSITMNEDRTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(2)7-12-6-9(11-10)8-4-3-5-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5-cyclobutyl-3,3-dimethylthiomorpholine?
5-cyclobutyl-3,3-dimethylthiomorpholine 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 5-cyclobutyl-3,3-dimethylthiomorpholine is sourced from PubChem (CID 126985980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).