(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine

C7H15N2O2S- — CID 90248764

IUPAC(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine
SMILESCN1CC[C@H](CN(C)S(=O)[O-])C1
InChIInChI=1S/C7H16N2O2S/c1-8-4-3-7(5-8)6-9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1/t7-/m0/s1
InChIKeyBOOGFTSCIVVSNN-ZETCQYMHSA-M
MW191.28 g/mol
LogP-0.34
Rot. Bonds3

About (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine

(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine (PubChem CID 90248764) has the molecular formula C7H15N2O2S- and a molecular weight of 191.28 g/mol. Its IUPAC name is (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine
PubChem CID90248764
Molecular FormulaC7H15N2O2S-
Molecular Weight191.28 g/mol
Exact Mass191.09
IUPAC Name(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine
SMILESCN1CC[C@H](CN(C)S(=O)[O-])C1
InChIInChI=1S/C7H16N2O2S/c1-8-4-3-7(5-8)6-9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1/t7-/m0/s1
InChIKeyBOOGFTSCIVVSNN-ZETCQYMHSA-M
XLogP-0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine?
The IUPAC name of (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine (CID 90248764) is (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine.
What is the SMILES notation for (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine?
The canonical SMILES for (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine is CN1CC[C@H](CN(C)S(=O)[O-])C1.
What is the InChIKey of (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine?
The InChIKey is BOOGFTSCIVVSNN-ZETCQYMHSA-M. The full InChI is InChI=1S/C7H16N2O2S/c1-8-4-3-7(5-8)6-9(2)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1/t7-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine?
(3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine has a molecular weight of 191.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[[methyl(sulfinato)amino]methyl]pyrrolidine is sourced from PubChem (CID 90248764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).