4-(3-propan-2-ylcyclobutyl)thiomorpholine

C11H21NS — CID 140626563

IUPAC4-(3-propan-2-ylcyclobutyl)thiomorpholine
SMILESCC(C)C1CC(N2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-9(2)10-7-11(8-10)12-3-5-13-6-4-12/h9-11H,3-8H2,1-2H3
InChIKeyAFMAQJSMNMBEKL-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-propan-2-ylcyclobutyl)thiomorpholine

4-(3-propan-2-ylcyclobutyl)thiomorpholine (PubChem CID 140626563) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-(3-propan-2-ylcyclobutyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-propan-2-ylcyclobutyl)thiomorpholine
PubChem CID140626563
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-(3-propan-2-ylcyclobutyl)thiomorpholine
SMILESCC(C)C1CC(N2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-9(2)10-7-11(8-10)12-3-5-13-6-4-12/h9-11H,3-8H2,1-2H3
InChIKeyAFMAQJSMNMBEKL-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-Dimethylpiperidin-1-yl)ethyl]pentane-1-thiol
CID 18965252
2,3-Diethyl-8-thia-5-azoniaspiro[4.5]decane
CID 20676427
4-(4-Methylcyclohexyl)thiomorpholine
CID 20761843
1-[1-(3-Methylbutylsulfanyl)pentan-2-yl]piperidine
CID 21695990
1-[1-(3-Methylbutylsulfanyl)propan-2-yl]piperidine
CID 21695994
2-(Methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine
CID 58778874
4-(5-Methylhexyl)thiomorpholine
CID 59001008
1-(2-Methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
(1S,4S)-5-[(3-propan-2-ylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.1]heptane
CID 68067991
4-(3-Propan-2-ylcyclobutyl)-1,4-thiazinane 1,1-dioxide
CID 68067999
4-[(3-Propan-2-ylcyclobutyl)methyl]-1,4-thiazinane 1-oxide
CID 68068001
4-(3-Propan-2-ylcyclobutyl)-1,4-thiazinane 1-oxide
CID 68068002

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylcyclobutyl)thiomorpholine?
The IUPAC name of 4-(3-propan-2-ylcyclobutyl)thiomorpholine (CID 140626563) is 4-(3-propan-2-ylcyclobutyl)thiomorpholine.
What is the SMILES notation for 4-(3-propan-2-ylcyclobutyl)thiomorpholine?
The canonical SMILES for 4-(3-propan-2-ylcyclobutyl)thiomorpholine is CC(C)C1CC(N2CCSCC2)C1.
What is the InChIKey of 4-(3-propan-2-ylcyclobutyl)thiomorpholine?
The InChIKey is AFMAQJSMNMBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)10-7-11(8-10)12-3-5-13-6-4-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylcyclobutyl)thiomorpholine?
4-(3-propan-2-ylcyclobutyl)thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylcyclobutyl)thiomorpholine is sourced from PubChem (CID 140626563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).