3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine

Name: 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₉NS — CID 134553891

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine

SMILESCSC(C1CNC1)C(C)(C)C

InChIInChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3

InChIKeyOVBIXIMOGCLACD-UHFFFAOYSA-N

MW173.32 g/mol

LogP1.98

Rot. Bonds2

About 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine

3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine (PubChem CID 134553891) has the molecular formula C₉H₁₉NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine.

Molecular Properties

Compound Name	3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine
PubChem CID	134553891
Molecular Formula	C₉H₁₉NS
Molecular Weight	173.32 g/mol
Exact Mass	173.12
IUPAC Name	3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine
SMILES	CSC(C1CNC1)C(C)(C)C
InChI	InChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3
InChIKey	OVBIXIMOGCLACD-UHFFFAOYSA-N
XLogP	1.98
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.32
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?

The IUPAC name of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine (CID 134553891) is 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine.

What is the SMILES notation for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?

The canonical SMILES for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine is CSC(C1CNC1)C(C)(C)C.

What is the InChIKey of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?

The InChIKey is OVBIXIMOGCLACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)8(11-4)7-5-10-6-7/h7-8,10H,5-6H2,1-4H3.

What are the key properties of 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine?

3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine has a molecular weight of 173.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethyl-1-methylsulfanylpropyl)azetidine is sourced from PubChem (CID 134553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 134553891 — identifiers, structure, computed properties (public domain)

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