2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine

C10H19NS — CID 130660894

IUPAC2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine
SMILESCC1CC(C)N1CC1CCSC1
InChIInChI=1S/C10H19NS/c1-8-5-9(2)11(8)6-10-3-4-12-7-10/h8-10H,3-7H2,1-2H3
InChIKeyKIRQMEGWWRRNBR-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.22
Rot. Bonds2

About 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine

2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine (PubChem CID 130660894) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine
PubChem CID130660894
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine
SMILESCC1CC(C)N1CC1CCSC1
InChIInChI=1S/C10H19NS/c1-8-5-9(2)11(8)6-10-3-4-12-7-10/h8-10H,3-7H2,1-2H3
InChIKeyKIRQMEGWWRRNBR-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine?
The IUPAC name of 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine (CID 130660894) is 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine.
What is the SMILES notation for 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine?
The canonical SMILES for 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine is CC1CC(C)N1CC1CCSC1.
What is the InChIKey of 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine?
The InChIKey is KIRQMEGWWRRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-5-9(2)11(8)6-10-3-4-12-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine?
2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine has a molecular weight of 185.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(thiolan-3-ylmethyl)azetidine is sourced from PubChem (CID 130660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).