[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol

C9H19NO3S — CID 67293994

IUPAC[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)8-4-7(6-11)10-5-8/h7-8,10-11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyCZKRSESQDWHNIK-JGVFFNPUSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds2

About [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol

[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 67293994) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol
PubChem CID67293994
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)8-4-7(6-11)10-5-8/h7-8,10-11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyCZKRSESQDWHNIK-JGVFFNPUSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol (CID 67293994) is [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol is CC(C)(C)S(=O)(=O)[C@H]1CN[C@H](CO)C1.
What is the InChIKey of [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is CZKRSESQDWHNIK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)8-4-7(6-11)10-5-8/h7-8,10-11H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 67293994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).