3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine

C11H21NS — CID 127000282

IUPAC3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
SMILESCC(C)C1CN(CC2CCSC2)C1
InChIInChI=1S/C11H21NS/c1-9(2)11-6-12(7-11)5-10-3-4-13-8-10/h9-11H,3-8H2,1-2H3
InChIKeyKLQBTGFYCANSGL-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.33
Rot. Bonds3

About 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine

3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine (PubChem CID 127000282) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine.

Molecular Properties

Compound Name3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
PubChem CID127000282
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
SMILESCC(C)C1CN(CC2CCSC2)C1
InChIInChI=1S/C11H21NS/c1-9(2)11-6-12(7-11)5-10-3-4-13-8-10/h9-11H,3-8H2,1-2H3
InChIKeyKLQBTGFYCANSGL-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-(thiolan-3-ylmethyl)azetidine
CID 130678273
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
1-(3-Methylbutyl)-3-methylsulfanylazetidine
CID 59761969
1-(2-Ethylsulfanylethyl)-3-methylpyrrolidine
CID 60061040
1-(3-Methylsulfanylpropyl)-3-propan-2-ylazetidine
CID 132122945
1-Methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine
CID 137430058
(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
CID 139421202
Ethane;2-methyl-4-(2-methylpropyl)-3-propan-2-yl-1,3-thiazetidine
CID 141816778
1,3-Dimethyl-4-propylsulfanylpyrrolidine
CID 143486623
Ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine
CID 144624385
3-(Ethylsulfanylmethyl)-1-methylpyrrolidine
CID 145595922

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine?
The IUPAC name of 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine (CID 127000282) is 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine.
What is the SMILES notation for 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine?
The canonical SMILES for 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine is CC(C)C1CN(CC2CCSC2)C1.
What is the InChIKey of 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine?
The InChIKey is KLQBTGFYCANSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)11-6-12(7-11)5-10-3-4-13-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine?
3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine has a molecular weight of 199.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(thiolan-3-ylmethyl)azetidine is sourced from PubChem (CID 127000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).