4-(3-methylcyclobutyl)thiomorpholine

C9H17NS — CID 123281433

IUPAC4-(3-methylcyclobutyl)thiomorpholine
SMILESCC1CC(N2CCSCC2)C1
InChIInChI=1S/C9H17NS/c1-8-6-9(7-8)10-2-4-11-5-3-10/h8-9H,2-7H2,1H3
InChIKeyZDRZZXUCRYUCJO-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.83
Rot. Bonds1

About 4-(3-methylcyclobutyl)thiomorpholine

4-(3-methylcyclobutyl)thiomorpholine (PubChem CID 123281433) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(3-methylcyclobutyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylcyclobutyl)thiomorpholine
PubChem CID123281433
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(3-methylcyclobutyl)thiomorpholine
SMILESCC1CC(N2CCSCC2)C1
InChIInChI=1S/C9H17NS/c1-8-6-9(7-8)10-2-4-11-5-3-10/h8-9H,2-7H2,1H3
InChIKeyZDRZZXUCRYUCJO-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
4-(2-Methylpentyl)thiomorpholine
CID 134994483
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262
1-[3-(3-Methylbutylsulfanyl)propyl]piperidine
CID 18965269
2,2,3,4-Tetramethylthiomorpholine
CID 20616142
1-[1-(3-Methylbutylsulfanyl)pentan-2-yl]piperidine
CID 21695990
1-[1-(3-Methylbutylsulfanyl)propan-2-yl]piperidine
CID 21695994
4-Methyl-2-propan-2-ylthiomorpholine
CID 57305038
4-(3-Methylbutyl)thiomorpholine
CID 58721587
4-(4-Methylpentyl)thiomorpholine
CID 58958244
4-(2,4-Dimethylpentan-3-yl)thiomorpholine
CID 59840729
1-(2-Ethylsulfanylethyl)-3-methylpiperidine
CID 60061025

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclobutyl)thiomorpholine?
The IUPAC name of 4-(3-methylcyclobutyl)thiomorpholine (CID 123281433) is 4-(3-methylcyclobutyl)thiomorpholine.
What is the SMILES notation for 4-(3-methylcyclobutyl)thiomorpholine?
The canonical SMILES for 4-(3-methylcyclobutyl)thiomorpholine is CC1CC(N2CCSCC2)C1.
What is the InChIKey of 4-(3-methylcyclobutyl)thiomorpholine?
The InChIKey is ZDRZZXUCRYUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8-6-9(7-8)10-2-4-11-5-3-10/h8-9H,2-7H2,1H3.
What are the key properties of 4-(3-methylcyclobutyl)thiomorpholine?
4-(3-methylcyclobutyl)thiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclobutyl)thiomorpholine is sourced from PubChem (CID 123281433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).