1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol

C11H22N2O3S — CID 73439978

IUPAC1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C11H22N2O3S/c1-2-17(15,16)13-8-5-11(14,10-13)9-12-6-3-4-7-12/h14H,2-10H2,1H3
InChIKeyYMCURPUTCSHGRC-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.13
Rot. Bonds4

About 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol

1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 73439978) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID73439978
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C11H22N2O3S/c1-2-17(15,16)13-8-5-11(14,10-13)9-12-6-3-4-7-12/h14H,2-10H2,1H3
InChIKeyYMCURPUTCSHGRC-UHFFFAOYSA-N
XLogP-0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol (CID 73439978) is 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol is CCS(=O)(=O)N1CCC(O)(CN2CCCC2)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is YMCURPUTCSHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-17(15,16)13-8-5-11(14,10-13)9-12-6-3-4-7-12/h14H,2-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 73439978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).