3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine

C10H21NO2S — CID 167155871

IUPAC3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)C1(C)CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(5)6-11(7-10)14(12,13)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyGRPQVYBVMZVJMK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine

3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine (PubChem CID 167155871) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine
PubChem CID167155871
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)C1(C)CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(5)6-11(7-10)14(12,13)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyGRPQVYBVMZVJMK-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine (CID 167155871) is 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine is CC(C)C1(C)CN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
The InChIKey is GRPQVYBVMZVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)10(5)6-11(7-10)14(12,13)9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine?
3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 167155871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).