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

C11H21NO3S — CID 65145609

IUPAC1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)CCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)8-2-5-11(13)6-7-12(9-11)10-3-4-10/h10,13H,2-9H2,1H3
InChIKeyRSZLLPNWBORAFV-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds5

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

1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (PubChem CID 65145609) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
PubChem CID65145609
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)CCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)8-2-5-11(13)6-7-12(9-11)10-3-4-10/h10,13H,2-9H2,1H3
InChIKeyRSZLLPNWBORAFV-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
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-methylsulfonylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (CID 65145609) is 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is CS(=O)(=O)CCCC1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The InChIKey is RSZLLPNWBORAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)8-2-5-11(13)6-7-12(9-11)10-3-4-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 65145609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).