4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine

C8H15F2N2O2S- — CID 170342672

IUPAC4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine
SMILESCC(F)(F)C(NS(=O)[O-])C1CCNCC1
InChIInChI=1S/C8H16F2N2O2S/c1-8(9,10)7(12-15(13)14)6-2-4-11-5-3-6/h6-7,11-12H,2-5H2,1H3,(H,13,14)/p-1
InChIKeyUKKNPIMZWXCNTQ-UHFFFAOYSA-M
MW241.28 g/mol
LogP0.39
Rot. Bonds4

About 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine

4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine (PubChem CID 170342672) has the molecular formula C8H15F2N2O2S- and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine.

Molecular Properties

Compound Name4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine
PubChem CID170342672
Molecular FormulaC8H15F2N2O2S-
Molecular Weight241.28 g/mol
Exact Mass241.08
IUPAC Name4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine
SMILESCC(F)(F)C(NS(=O)[O-])C1CCNCC1
InChIInChI=1S/C8H16F2N2O2S/c1-8(9,10)7(12-15(13)14)6-2-4-11-5-3-6/h6-7,11-12H,2-5H2,1H3,(H,13,14)/p-1
InChIKeyUKKNPIMZWXCNTQ-UHFFFAOYSA-M
XLogP0.39
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
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 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine?
The IUPAC name of 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine (CID 170342672) is 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine.
What is the SMILES notation for 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine?
The canonical SMILES for 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine is CC(F)(F)C(NS(=O)[O-])C1CCNCC1.
What is the InChIKey of 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine?
The InChIKey is UKKNPIMZWXCNTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16F2N2O2S/c1-8(9,10)7(12-15(13)14)6-2-4-11-5-3-6/h6-7,11-12H,2-5H2,1H3,(H,13,14)/p-1.
What are the key properties of 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine?
4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-1-(sulfinatoamino)propyl]piperidine is sourced from PubChem (CID 170342672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).