1-(thiolan-3-ylmethyl)azetidine

C8H15NS — CID 126994441

IUPAC1-(thiolan-3-ylmethyl)azetidine
SMILESC1CN(CC2CCSC2)C1
InChIInChI=1S/C8H15NS/c1-3-9(4-1)6-8-2-5-10-7-8/h8H,1-7H2
InChIKeyXBBMYFPOQUCKNV-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.45
Rot. Bonds2

About 1-(thiolan-3-ylmethyl)azetidine

1-(thiolan-3-ylmethyl)azetidine (PubChem CID 126994441) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(thiolan-3-ylmethyl)azetidine.

Molecular Properties

Compound Name1-(thiolan-3-ylmethyl)azetidine
PubChem CID126994441
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(thiolan-3-ylmethyl)azetidine
SMILESC1CN(CC2CCSC2)C1
InChIInChI=1S/C8H15NS/c1-3-9(4-1)6-8-2-5-10-7-8/h8H,1-7H2
InChIKeyXBBMYFPOQUCKNV-UHFFFAOYSA-N
XLogP1.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-(thiolan-3-ylmethyl)azetidine
CID 130678273
1-(3-Methylsulfanylpropyl)-3-propan-2-ylazetidine
CID 132122945
1-Methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine
CID 137430058
1,3-Dimethyl-4-propylsulfanylpyrrolidine
CID 143486623
3-(Ethylsulfanylmethyl)-1-methylpyrrolidine
CID 145595922
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
3-(1-Ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
CID 167098001
1-(3-Methylbutyl)-3-(propan-2-ylsulfanylmethyl)pyrrolidine
CID 168138585
N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 169307309
2-(Ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine
CID 172588715
2-Butyl-5-thia-2-azaspiro[3.4]octane;ethane
CID 176925367
3-Propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
CID 127000282

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-ylmethyl)azetidine?
The IUPAC name of 1-(thiolan-3-ylmethyl)azetidine (CID 126994441) is 1-(thiolan-3-ylmethyl)azetidine.
What is the SMILES notation for 1-(thiolan-3-ylmethyl)azetidine?
The canonical SMILES for 1-(thiolan-3-ylmethyl)azetidine is C1CN(CC2CCSC2)C1.
What is the InChIKey of 1-(thiolan-3-ylmethyl)azetidine?
The InChIKey is XBBMYFPOQUCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-9(4-1)6-8-2-5-10-7-8/h8H,1-7H2.
What are the key properties of 1-(thiolan-3-ylmethyl)azetidine?
1-(thiolan-3-ylmethyl)azetidine has a molecular weight of 157.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-ylmethyl)azetidine is sourced from PubChem (CID 126994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).