1-(3-methylbutylsulfonyl)pyrrolidin-3-ol

C9H19NO3S — CID 63857865

IUPAC1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)4-6-14(12,13)10-5-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyPLGJULFFVSWJBD-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol

1-(3-methylbutylsulfonyl)pyrrolidin-3-ol (PubChem CID 63857865) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
PubChem CID63857865
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)4-6-14(12,13)10-5-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyPLGJULFFVSWJBD-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol (CID 63857865) is 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol is CC(C)CCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol?
The InChIKey is PLGJULFFVSWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)4-6-14(12,13)10-5-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol?
1-(3-methylbutylsulfonyl)pyrrolidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 63857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).