1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol

C10H19NO3S — CID 103871428

IUPAC1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C10H19NO3S/c1-10(12)6-7-11(8-10)15(13,14)9-4-2-3-5-9/h9,12H,2-8H2,1H3
InChIKeyWXBNAMACUFFJDN-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.72
Rot. Bonds2

About 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol

1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871428) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871428
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C10H19NO3S/c1-10(12)6-7-11(8-10)15(13,14)9-4-2-3-5-9/h9,12H,2-8H2,1H3
InChIKeyWXBNAMACUFFJDN-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol (CID 103871428) is 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is WXBNAMACUFFJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(12)6-7-11(8-10)15(13,14)9-4-2-3-5-9/h9,12H,2-8H2,1H3.
What are the key properties of 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol?
1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 233.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).