(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol

C9H19NO4S — CID 102174651

IUPAC(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-2-9(12)8-4-3-5-10(8)15(13,14)7-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyZJGLXIDCXHOMPK-BDAKNGLRSA-N
MW237.32 g/mol
LogP-0.46
Rot. Bonds5

About (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol

(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 102174651) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID102174651
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@H]1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C9H19NO4S/c1-2-9(12)8-4-3-5-10(8)15(13,14)7-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyZJGLXIDCXHOMPK-BDAKNGLRSA-N
XLogP-0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 102174651) is (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is CC[C@H](O)[C@H]1CCCN1S(=O)(=O)CCO.
What is the InChIKey of (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZJGLXIDCXHOMPK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-2-9(12)8-4-3-5-10(8)15(13,14)7-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 237.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 102174651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).