1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane

C10H20NO2S- — CID 90752147

IUPAC1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(CC)S(=O)[O-])C1
InChIInChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13)/p-1
InChIKeyNYITURTYPGATLM-UHFFFAOYSA-M
MW218.34 g/mol
LogP1.93
Rot. Bonds5

About 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane

1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane (PubChem CID 90752147) has the molecular formula C10H20NO2S- and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
PubChem CID90752147
Molecular FormulaC10H20NO2S-
Molecular Weight218.34 g/mol
Exact Mass218.12
IUPAC Name1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(CC)S(=O)[O-])C1
InChIInChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13)/p-1
InChIKeyNYITURTYPGATLM-UHFFFAOYSA-M
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-[[ethyl(sulfinato)amino]methyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane (CID 90752147) is 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane is CCC1CCC(CN(CC)S(=O)[O-])C1.
What is the InChIKey of 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane?
The InChIKey is NYITURTYPGATLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane?
1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane has a molecular weight of 218.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane is sourced from PubChem (CID 90752147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).