1-[3-[methyl(sulfinato)amino]propyl]piperidine

C9H19N2O2S- — CID 69180179

IUPAC1-[3-[methyl(sulfinato)amino]propyl]piperidine
SMILESCN(CCCN1CCCCC1)S(=O)[O-]
InChIInChI=1S/C9H20N2O2S/c1-10(14(12)13)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3,(H,12,13)/p-1
InChIKeyYOYBPGWACWTDSV-UHFFFAOYSA-M
MW219.33 g/mol
LogP0.59
Rot. Bonds5

About 1-[3-[methyl(sulfinato)amino]propyl]piperidine

1-[3-[methyl(sulfinato)amino]propyl]piperidine (PubChem CID 69180179) has the molecular formula C9H19N2O2S- and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-[methyl(sulfinato)amino]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[methyl(sulfinato)amino]propyl]piperidine
PubChem CID69180179
Molecular FormulaC9H19N2O2S-
Molecular Weight219.33 g/mol
Exact Mass219.12
IUPAC Name1-[3-[methyl(sulfinato)amino]propyl]piperidine
SMILESCN(CCCN1CCCCC1)S(=O)[O-]
InChIInChI=1S/C9H20N2O2S/c1-10(14(12)13)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3,(H,12,13)/p-1
InChIKeyYOYBPGWACWTDSV-UHFFFAOYSA-M
XLogP0.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.59
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 1-[3-[methyl(sulfinato)amino]propyl]piperidine?
The IUPAC name of 1-[3-[methyl(sulfinato)amino]propyl]piperidine (CID 69180179) is 1-[3-[methyl(sulfinato)amino]propyl]piperidine.
What is the SMILES notation for 1-[3-[methyl(sulfinato)amino]propyl]piperidine?
The canonical SMILES for 1-[3-[methyl(sulfinato)amino]propyl]piperidine is CN(CCCN1CCCCC1)S(=O)[O-].
What is the InChIKey of 1-[3-[methyl(sulfinato)amino]propyl]piperidine?
The InChIKey is YOYBPGWACWTDSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N2O2S/c1-10(14(12)13)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3,(H,12,13)/p-1.
What are the key properties of 1-[3-[methyl(sulfinato)amino]propyl]piperidine?
1-[3-[methyl(sulfinato)amino]propyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(sulfinato)amino]propyl]piperidine is sourced from PubChem (CID 69180179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).