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

C9H19NO2S — CID 91176265

IUPAC1-ethyl-3-[[methyl(sulfino)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)
InChIKeyVKMUDURJRMYKNA-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.88
Rot. Bonds4

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

1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane (PubChem CID 91176265) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
PubChem CID91176265
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-ethyl-3-[[methyl(sulfino)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)
InChIKeyVKMUDURJRMYKNA-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[Methyl(sulfinato)amino]methyl]heptane
CID 89773732
1-Ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
CID 90752147
1-Ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
CID 91176264
1-Methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
CID 91213908
2-Cyclopentylethyl(propyl)sulfamic acid
CID 174618408
3-Butylpyrrolidine-1-sulfinic acid
CID 89262398
3-[[Methyl(sulfino)amino]methyl]heptane
CID 89773733
1-Ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane
CID 90752148
1-Methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
CID 91213909

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane (CID 91176265) is 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane is CCC1CCC(CN(C)S(=O)O)C1.
What is the InChIKey of 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The InChIKey is VKMUDURJRMYKNA-UHFFFAOYSA-N. 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).
What are the key properties of 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane has a molecular weight of 205.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane is sourced from PubChem (CID 91176265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).