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

C9H18NO2S- — CID 91176264

IUPAC1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(C)S(=O)[O-])C1
InChIInChI=1S/C9H19NO2S/c1-3-8-4-5-9(6-8)7-10(2)13(11)12/h8-9H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyVKMUDURJRMYKNA-UHFFFAOYSA-M
MW204.31 g/mol
LogP1.54
Rot. Bonds4

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

1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane (PubChem CID 91176264) has the molecular formula C9H18NO2S- and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
PubChem CID91176264
Molecular FormulaC9H18NO2S-
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC Name1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(C)S(=O)[O-])C1
InChIInChI=1S/C9H19NO2S/c1-3-8-4-5-9(6-8)7-10(2)13(11)12/h8-9H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyVKMUDURJRMYKNA-UHFFFAOYSA-M
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.54
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-[[methyl(sulfinato)amino]methyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane (CID 91176264) is 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane is CCC1CCC(CN(C)S(=O)[O-])C1.
What is the InChIKey of 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
The InChIKey is VKMUDURJRMYKNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO2S/c1-3-8-4-5-9(6-8)7-10(2)13(11)12/h8-9H,3-7H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane has a molecular weight of 204.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane is sourced from PubChem (CID 91176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).