[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol

C8H16FNO3S — CID 75387077

IUPAC[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCF)N1CCC[C@H]1CO
InChIInChI=1S/C8H16FNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2/t8-/m0/s1
InChIKeyDANSWZASUOYMJT-QMMMGPOBSA-N
MW225.28 g/mol
LogP0.13
Rot. Bonds5

About [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol

[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 75387077) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID75387077
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCF)N1CCC[C@H]1CO
InChIInChI=1S/C8H16FNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2/t8-/m0/s1
InChIKeyDANSWZASUOYMJT-QMMMGPOBSA-N
XLogP0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol (CID 75387077) is [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CCCF)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is DANSWZASUOYMJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO3S/c9-4-2-6-14(12,13)10-5-1-3-8(10)7-11/h8,11H,1-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 225.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 75387077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).