2-propan-2-yl-1-(thian-4-yl)azetidine

C11H21NS — CID 130685806

IUPAC2-propan-2-yl-1-(thian-4-yl)azetidine
SMILESCC(C)C1CCN1C1CCSCC1
InChIInChI=1S/C11H21NS/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyQGGJBQWRRYCYIF-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds2

About 2-propan-2-yl-1-(thian-4-yl)azetidine

2-propan-2-yl-1-(thian-4-yl)azetidine (PubChem CID 130685806) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-propan-2-yl-1-(thian-4-yl)azetidine.

Molecular Properties

Compound Name2-propan-2-yl-1-(thian-4-yl)azetidine
PubChem CID130685806
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-propan-2-yl-1-(thian-4-yl)azetidine
SMILESCC(C)C1CCN1C1CCSCC1
InChIInChI=1S/C11H21NS/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyQGGJBQWRRYCYIF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21695990
1-[1-(3-Methylbutylsulfanyl)propan-2-yl]piperidine
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4-(3-Propan-2-ylazetidin-1-yl)thiane 1-oxide
CID 58054366
5-Methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpiperidine
CID 71221062
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404
5-[(1,3-Dimethylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123320963
5-[(3-Methylcyclobutyl)methyl]-2-thia-5-azabicyclo[2.2.0]hexane
CID 123670568
3-(Methylsulfanylmethyl)-1-propan-2-ylpiperidine
CID 128497992
3-(2-Methylpropyl)-4-propan-2-ylthiomorpholine
CID 129157092
3-Methyl-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 132228195
3-Methylsulfanyl-1,2-di(propan-2-yl)azetidine
CID 134269822
Ethane;2-methyl-4-(2-methylpropyl)-3-propan-2-yl-1,3-thiazetidine
CID 141816778

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(thian-4-yl)azetidine?
The IUPAC name of 2-propan-2-yl-1-(thian-4-yl)azetidine (CID 130685806) is 2-propan-2-yl-1-(thian-4-yl)azetidine.
What is the SMILES notation for 2-propan-2-yl-1-(thian-4-yl)azetidine?
The canonical SMILES for 2-propan-2-yl-1-(thian-4-yl)azetidine is CC(C)C1CCN1C1CCSCC1.
What is the InChIKey of 2-propan-2-yl-1-(thian-4-yl)azetidine?
The InChIKey is QGGJBQWRRYCYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)11-3-6-12(11)10-4-7-13-8-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(thian-4-yl)azetidine?
2-propan-2-yl-1-(thian-4-yl)azetidine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(thian-4-yl)azetidine is sourced from PubChem (CID 130685806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).