1-(azetidin-1-ylsulfonyl)azetidine

C6H12N2O2S — CID 69400792

IUPAC1-(azetidin-1-ylsulfonyl)azetidine
SMILESO=S(=O)(N1CCC1)N1CCC1
InChIInChI=1S/C6H12N2O2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h1-6H2
InChIKeyMVBCGGVSBVCQPR-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.36
Rot. Bonds2

About 1-(azetidin-1-ylsulfonyl)azetidine

1-(azetidin-1-ylsulfonyl)azetidine (PubChem CID 69400792) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 1-(azetidin-1-ylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(azetidin-1-ylsulfonyl)azetidine
PubChem CID69400792
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name1-(azetidin-1-ylsulfonyl)azetidine
SMILESO=S(=O)(N1CCC1)N1CCC1
InChIInChI=1S/C6H12N2O2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h1-6H2
InChIKeyMVBCGGVSBVCQPR-UHFFFAOYSA-N
XLogP-0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
CID 165436307
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 63872906
5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211620

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-ylsulfonyl)azetidine?
The IUPAC name of 1-(azetidin-1-ylsulfonyl)azetidine (CID 69400792) is 1-(azetidin-1-ylsulfonyl)azetidine.
What is the SMILES notation for 1-(azetidin-1-ylsulfonyl)azetidine?
The canonical SMILES for 1-(azetidin-1-ylsulfonyl)azetidine is O=S(=O)(N1CCC1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-ylsulfonyl)azetidine?
The InChIKey is MVBCGGVSBVCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h1-6H2.
What are the key properties of 1-(azetidin-1-ylsulfonyl)azetidine?
1-(azetidin-1-ylsulfonyl)azetidine has a molecular weight of 176.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-ylsulfonyl)azetidine is sourced from PubChem (CID 69400792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).