1-propan-2-ylsulfonylazetidine

C6H13NO2S — CID 90398522

IUPAC1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C6H13NO2S/c1-6(2)10(8,9)7-4-3-5-7/h6H,3-5H2,1-2H3
InChIKeyKDKKHAQRPQDISK-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.43
Rot. Bonds2

About 1-propan-2-ylsulfonylazetidine

1-propan-2-ylsulfonylazetidine (PubChem CID 90398522) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylazetidine
PubChem CID90398522
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C6H13NO2S/c1-6(2)10(8,9)7-4-3-5-7/h6H,3-5H2,1-2H3
InChIKeyKDKKHAQRPQDISK-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Methylsulfonyl)azetidine
CID 232153
2-Methyl-1lambda~6~,2-thiazetidine-1,1-dione
CID 12959054
Ethylsulfonyl azetidine
CID 70663315
1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
1-(3,3,3-Trifluoropropylsulfonyl)azetidine
CID 153912884
N,N-diethylpropane-1-sulfonamide
CID 303064
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
1-(2,2-Difluoroethanesulfonyl)azetidine
CID 164660591
2-Propylthiazetidine 1,1-dioxide
CID 12959044

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylazetidine?
The IUPAC name of 1-propan-2-ylsulfonylazetidine (CID 90398522) is 1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 1-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)N1CCC1.
What is the InChIKey of 1-propan-2-ylsulfonylazetidine?
The InChIKey is KDKKHAQRPQDISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)10(8,9)7-4-3-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylazetidine?
1-propan-2-ylsulfonylazetidine has a molecular weight of 163.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 90398522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).