2-methyl-1-[3-(sulfinatoamino)propyl]piperidine

C9H19N2O2S- — CID 71192303

IUPAC2-methyl-1-[3-(sulfinatoamino)propyl]piperidine
SMILESCC1CCCCN1CCCNS(=O)[O-]
InChIInChI=1S/C9H20N2O2S/c1-9-5-2-3-7-11(9)8-4-6-10-14(12)13/h9-10H,2-8H2,1H3,(H,12,13)/p-1
InChIKeyBDOFULKZTRRHPD-UHFFFAOYSA-M
MW219.33 g/mol
LogP0.63
Rot. Bonds5

About 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine

2-methyl-1-[3-(sulfinatoamino)propyl]piperidine (PubChem CID 71192303) has the molecular formula C9H19N2O2S- and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[3-(sulfinatoamino)propyl]piperidine
PubChem CID71192303
Molecular FormulaC9H19N2O2S-
Molecular Weight219.33 g/mol
Exact Mass219.12
IUPAC Name2-methyl-1-[3-(sulfinatoamino)propyl]piperidine
SMILESCC1CCCCN1CCCNS(=O)[O-]
InChIInChI=1S/C9H20N2O2S/c1-9-5-2-3-7-11(9)8-4-6-10-14(12)13/h9-10H,2-8H2,1H3,(H,12,13)/p-1
InChIKeyBDOFULKZTRRHPD-UHFFFAOYSA-M
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine?
The IUPAC name of 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine (CID 71192303) is 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine.
What is the SMILES notation for 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine?
The canonical SMILES for 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine is CC1CCCCN1CCCNS(=O)[O-].
What is the InChIKey of 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine?
The InChIKey is BDOFULKZTRRHPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N2O2S/c1-9-5-2-3-7-11(9)8-4-6-10-14(12)13/h9-10H,2-8H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine?
2-methyl-1-[3-(sulfinatoamino)propyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(sulfinatoamino)propyl]piperidine is sourced from PubChem (CID 71192303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).