(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol

C9H19NO3S — CID 146253532

IUPAC(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCC(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLJAMGYRJFWFUGK-DTWKUNHWSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

About (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 146253532) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID146253532
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCC(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLJAMGYRJFWFUGK-DTWKUNHWSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 146253532) is (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is CC(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is LJAMGYRJFWFUGK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 146253532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).