(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol

C10H21NO3S — CID 155141447

IUPAC(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCC(C)(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)7-9(12)8-5-4-6-11-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyYLIVONCKCFURIN-BDAKNGLRSA-N
MW235.35 g/mol
LogP0.31
Rot. Bonds3

About (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol

(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol (PubChem CID 155141447) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
PubChem CID155141447
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCC(C)(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)7-9(12)8-5-4-6-11-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyYLIVONCKCFURIN-BDAKNGLRSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol (CID 155141447) is (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol is CC(C)(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1.
What is the InChIKey of (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The InChIKey is YLIVONCKCFURIN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)15(13,14)7-9(12)8-5-4-6-11-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155141447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).