2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine

C13H27NS — CID 175631655

IUPAC2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine
SMILESCSC(C)C(C)(C)N1CCC1(C)C(C)C
InChIInChI=1S/C13H27NS/c1-10(2)13(6)8-9-14(13)12(4,5)11(3)15-7/h10-11H,8-9H2,1-7H3
InChIKeyAABHAPHZDVLOIO-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.64
Rot. Bonds4

About 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine

2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine (PubChem CID 175631655) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine
PubChem CID175631655
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine
SMILESCSC(C)C(C)(C)N1CCC1(C)C(C)C
InChIInChI=1S/C13H27NS/c1-10(2)13(6)8-9-14(13)12(4,5)11(3)15-7/h10-11H,8-9H2,1-7H3
InChIKeyAABHAPHZDVLOIO-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine?
The IUPAC name of 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine (CID 175631655) is 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine?
The canonical SMILES for 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine is CSC(C)C(C)(C)N1CCC1(C)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine?
The InChIKey is AABHAPHZDVLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10(2)13(6)8-9-14(13)12(4,5)11(3)15-7/h10-11H,8-9H2,1-7H3.
What are the key properties of 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine?
2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine has a molecular weight of 229.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine is sourced from PubChem (CID 175631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).