1-methyl-1-(sulfinatoamino)cyclopentane

C6H12NO2S- — CID 174542806

IUPAC1-methyl-1-(sulfinatoamino)cyclopentane
SMILESCC1(NS(=O)[O-])CCCC1
InChIInChI=1S/C6H13NO2S/c1-6(7-10(8)9)4-2-3-5-6/h7H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyQXUUNCGQDXKCRG-UHFFFAOYSA-M
MW162.23 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-1-(sulfinatoamino)cyclopentane

1-methyl-1-(sulfinatoamino)cyclopentane (PubChem CID 174542806) has the molecular formula C6H12NO2S- and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methyl-1-(sulfinatoamino)cyclopentane.

Molecular Properties

Compound Name1-methyl-1-(sulfinatoamino)cyclopentane
PubChem CID174542806
Molecular FormulaC6H12NO2S-
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name1-methyl-1-(sulfinatoamino)cyclopentane
SMILESCC1(NS(=O)[O-])CCCC1
InChIInChI=1S/C6H13NO2S/c1-6(7-10(8)9)4-2-3-5-6/h7H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyQXUUNCGQDXKCRG-UHFFFAOYSA-M
XLogP0.70
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-methyl-1-(sulfinatoamino)cyclopentane?
The IUPAC name of 1-methyl-1-(sulfinatoamino)cyclopentane (CID 174542806) is 1-methyl-1-(sulfinatoamino)cyclopentane.
What is the SMILES notation for 1-methyl-1-(sulfinatoamino)cyclopentane?
The canonical SMILES for 1-methyl-1-(sulfinatoamino)cyclopentane is CC1(NS(=O)[O-])CCCC1.
What is the InChIKey of 1-methyl-1-(sulfinatoamino)cyclopentane?
The InChIKey is QXUUNCGQDXKCRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S/c1-6(7-10(8)9)4-2-3-5-6/h7H,2-5H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-methyl-1-(sulfinatoamino)cyclopentane?
1-methyl-1-(sulfinatoamino)cyclopentane has a molecular weight of 162.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(sulfinatoamino)cyclopentane is sourced from PubChem (CID 174542806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).