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

C10H21NO3S — CID 146253534

IUPAC(1S)-2-tert-butylsulfonyl-1-[(2S)-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+/m0/s1
InChIKeyYLIVONCKCFURIN-DTWKUNHWSA-N
MW235.35 g/mol
LogP0.31
Rot. Bonds3

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

(1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 146253534) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID146253534
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(1S)-2-tert-butylsulfonyl-1-[(2S)-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+/m0/s1
InChIKeyYLIVONCKCFURIN-DTWKUNHWSA-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 (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 146253534) is (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is CC(C)(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is YLIVONCKCFURIN-DTWKUNHWSA-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+/m0/s1.
What are the key properties of (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-tert-butylsulfonyl-1-[(2S)-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 (1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 146253534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).