2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine

C11H21NS — CID 131065615

IUPAC2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine
SMILESCSC1(CN2CCC2(C)C)CCC1
InChIInChI=1S/C11H21NS/c1-10(2)7-8-12(10)9-11(13-3)5-4-6-11/h4-9H2,1-3H3
InChIKeyMHSBMTPDPTUWLA-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.76
Rot. Bonds3

About 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine

2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine (PubChem CID 131065615) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine
PubChem CID131065615
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine
SMILESCSC1(CN2CCC2(C)C)CCC1
InChIInChI=1S/C11H21NS/c1-10(2)7-8-12(10)9-11(13-3)5-4-6-11/h4-9H2,1-3H3
InChIKeyMHSBMTPDPTUWLA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine?
The IUPAC name of 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine (CID 131065615) is 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine.
What is the SMILES notation for 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine?
The canonical SMILES for 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine is CSC1(CN2CCC2(C)C)CCC1.
What is the InChIKey of 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine?
The InChIKey is MHSBMTPDPTUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2)7-8-12(10)9-11(13-3)5-4-6-11/h4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine?
2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine has a molecular weight of 199.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine is sourced from PubChem (CID 131065615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).