3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine

C9H18N2O2S — CID 126990592

IUPAC3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine
SMILESCC1(C)CN(S(=O)(=O)C2CCNC2)C1
InChIInChI=1S/C9H18N2O2S/c1-9(2)6-11(7-9)14(12,13)8-3-4-10-5-8/h8,10H,3-7H2,1-2H3
InChIKeyQKEXMHFMSAVVAQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.02
Rot. Bonds2

About 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine

3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine (PubChem CID 126990592) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine
PubChem CID126990592
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine
SMILESCC1(C)CN(S(=O)(=O)C2CCNC2)C1
InChIInChI=1S/C9H18N2O2S/c1-9(2)6-11(7-9)14(12,13)8-3-4-10-5-8/h8,10H,3-7H2,1-2H3
InChIKeyQKEXMHFMSAVVAQ-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-4-pyrrolidin-3-ylsulfonyl-1,4-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine?
The IUPAC name of 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine (CID 126990592) is 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine?
The canonical SMILES for 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine is CC1(C)CN(S(=O)(=O)C2CCNC2)C1.
What is the InChIKey of 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine?
The InChIKey is QKEXMHFMSAVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(2)6-11(7-9)14(12,13)8-3-4-10-5-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine?
3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine has a molecular weight of 218.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine is sourced from PubChem (CID 126990592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).