(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine

C9H19NOS — CID 46188856

IUPAC(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine
SMILESC[C@H]1CCCN1[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8-6-5-7-10(8)12(11)9(2,3)4/h8H,5-7H2,1-4H3/t8-,12-/m0/s1
InChIKeyFCPOKBGTXQLRTF-UFBFGSQYSA-N
MW189.32 g/mol
LogP1.93
Rot. Bonds1

About (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine

(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine (PubChem CID 46188856) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine
PubChem CID46188856
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine
SMILESC[C@H]1CCCN1[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8-6-5-7-10(8)12(11)9(2,3)4/h8H,5-7H2,1-4H3/t8-,12-/m0/s1
InChIKeyFCPOKBGTXQLRTF-UFBFGSQYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine?
The IUPAC name of (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine (CID 46188856) is (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine.
What is the SMILES notation for (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine?
The canonical SMILES for (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine is C[C@H]1CCCN1[S@@](=O)C(C)(C)C.
What is the InChIKey of (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine?
The InChIKey is FCPOKBGTXQLRTF-UFBFGSQYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8-6-5-7-10(8)12(11)9(2,3)4/h8H,5-7H2,1-4H3/t8-,12-/m0/s1.
What are the key properties of (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine?
(2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine has a molecular weight of 189.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(S)-tert-butylsulfinyl]-2-methylpyrrolidine is sourced from PubChem (CID 46188856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).