[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol

C9H19NO3S — CID 59831595

IUPAC[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyXWSOIDRXUAYSAB-QMMMGPOBSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds2

About [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol

[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 59831595) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol
PubChem CID59831595
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyXWSOIDRXUAYSAB-QMMMGPOBSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol (CID 59831595) is [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol is CC(C)(C)S(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is XWSOIDRXUAYSAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-4-5-8(10)7-11/h8,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 59831595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).