1-ethyl-4-[methyl(sulfinato)amino]piperidine

C8H17N2O2S- — CID 59098127

IUPAC1-ethyl-4-[methyl(sulfinato)amino]piperidine
SMILESCCN1CCC(N(C)S(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-4-8(5-7-10)9(2)13(11)12/h8H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyXWYCGASPUWMWOL-UHFFFAOYSA-M
MW205.30 g/mol
LogP0.20
Rot. Bonds3

About 1-ethyl-4-[methyl(sulfinato)amino]piperidine

1-ethyl-4-[methyl(sulfinato)amino]piperidine (PubChem CID 59098127) has the molecular formula C8H17N2O2S- and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-4-[methyl(sulfinato)amino]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[methyl(sulfinato)amino]piperidine
PubChem CID59098127
Molecular FormulaC8H17N2O2S-
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name1-ethyl-4-[methyl(sulfinato)amino]piperidine
SMILESCCN1CCC(N(C)S(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c1-3-10-6-4-8(5-7-10)9(2)13(11)12/h8H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyXWYCGASPUWMWOL-UHFFFAOYSA-M
XLogP0.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.20
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-ethyl-4-[methyl(sulfinato)amino]piperidine?
The IUPAC name of 1-ethyl-4-[methyl(sulfinato)amino]piperidine (CID 59098127) is 1-ethyl-4-[methyl(sulfinato)amino]piperidine.
What is the SMILES notation for 1-ethyl-4-[methyl(sulfinato)amino]piperidine?
The canonical SMILES for 1-ethyl-4-[methyl(sulfinato)amino]piperidine is CCN1CCC(N(C)S(=O)[O-])CC1.
What is the InChIKey of 1-ethyl-4-[methyl(sulfinato)amino]piperidine?
The InChIKey is XWYCGASPUWMWOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10-6-4-8(5-7-10)9(2)13(11)12/h8H,3-7H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 1-ethyl-4-[methyl(sulfinato)amino]piperidine?
1-ethyl-4-[methyl(sulfinato)amino]piperidine has a molecular weight of 205.30 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[methyl(sulfinato)amino]piperidine is sourced from PubChem (CID 59098127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).