1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol

C12H23NO3S — CID 65145768

IUPAC1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C12H23NO3S/c1-2-17(15,16)9-3-6-12(14)7-8-13(10-12)11-4-5-11/h11,14H,2-10H2,1H3
InChIKeyLFFCRJZGHKPGSM-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.80
Rot. Bonds6

About 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol

1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol (PubChem CID 65145768) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
PubChem CID65145768
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C12H23NO3S/c1-2-17(15,16)9-3-6-12(14)7-8-13(10-12)11-4-5-11/h11,14H,2-10H2,1H3
InChIKeyLFFCRJZGHKPGSM-UHFFFAOYSA-N
XLogP0.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol (CID 65145768) is 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol is CCS(=O)(=O)CCCC1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The InChIKey is LFFCRJZGHKPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-17(15,16)9-3-6-12(14)7-8-13(10-12)11-4-5-11/h11,14H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 65145768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).