3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine

C17H35NS — CID 129101793

IUPAC3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine
SMILESCCC(C)CSCC(C)C1NCC1(C)C(C)C(C)C
InChIInChI=1S/C17H35NS/c1-8-13(4)9-19-10-14(5)16-17(7,11-18-16)15(6)12(2)3/h12-16,18H,8-11H2,1-7H3
InChIKeyBSXIVKPNYQPFCA-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.67
Rot. Bonds8

About 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine

3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine (PubChem CID 129101793) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine.

Molecular Properties

Compound Name3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine
PubChem CID129101793
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine
SMILESCCC(C)CSCC(C)C1NCC1(C)C(C)C(C)C
InChIInChI=1S/C17H35NS/c1-8-13(4)9-19-10-14(5)16-17(7,11-18-16)15(6)12(2)3/h12-16,18H,8-11H2,1-7H3
InChIKeyBSXIVKPNYQPFCA-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine?
The IUPAC name of 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine (CID 129101793) is 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine.
What is the SMILES notation for 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine?
The canonical SMILES for 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine is CCC(C)CSCC(C)C1NCC1(C)C(C)C(C)C.
What is the InChIKey of 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine?
The InChIKey is BSXIVKPNYQPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-8-13(4)9-19-10-14(5)16-17(7,11-18-16)15(6)12(2)3/h12-16,18H,8-11H2,1-7H3.
What are the key properties of 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine?
3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine has a molecular weight of 285.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbutan-2-yl)-2-[1-(2-methylbutylsulfanyl)propan-2-yl]azetidine is sourced from PubChem (CID 129101793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).