3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine

C8H17NO4S2 — CID 72719079

IUPAC3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO4S2/c1-7(2)6-15(12,13)8-4-9(5-8)14(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyGRBGOHVWMLQSGI-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.30
Rot. Bonds4

About 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine

3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine (PubChem CID 72719079) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine
PubChem CID72719079
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC Name3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO4S2/c1-7(2)6-15(12,13)8-4-9(5-8)14(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyGRBGOHVWMLQSGI-UHFFFAOYSA-N
XLogP-0.30
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Butylsulfonyl)-3-(isobutylsulfonyl)azetidine
CID 72719082
1-Butylsulfonyl-3-methylsulfonylazetidine
CID 136546462
3-Ethyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylazetidine
CID 136548119
3-(isobutylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
CID 72719110
N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide
CID 58785818
1-Methylsulfonyl-3-(methylsulfonylmethyl)azetidine
CID 66972476
N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane
CID 91523486
N-[(2-methylsulfonylcyclopropyl)methylsulfonyl]azetidine-1-sulfonamide
CID 139495075
1-Methyl-3-(propan-2-ylsulfonylmethyl)azetidine
CID 177300168
3-(Cyclohexylsulfonyl)-1-(ethylsulfonyl)azetidine
CID 71809362
3-(cyclohexylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
CID 71809374
1-(Cyclopropylsulfonyl)-3-(isobutylsulfonyl)azetidine
CID 72719080

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine?
The IUPAC name of 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine (CID 72719079) is 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine?
The canonical SMILES for 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine is CC(C)CS(=O)(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine?
The InChIKey is GRBGOHVWMLQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-7(2)6-15(12,13)8-4-9(5-8)14(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine?
3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine has a molecular weight of 255.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)-1-methylsulfonylazetidine is sourced from PubChem (CID 72719079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).