1-methyl-1-(sulfinoamino)cyclopentane

C6H13NO2S — CID 174542807

IUPAC1-methyl-1-(sulfinoamino)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)
InChIKeyQXUUNCGQDXKCRG-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds2

About 1-methyl-1-(sulfinoamino)cyclopentane

1-methyl-1-(sulfinoamino)cyclopentane (PubChem CID 174542807) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-methyl-1-(sulfinoamino)cyclopentane.

Molecular Properties

Compound Name1-methyl-1-(sulfinoamino)cyclopentane
PubChem CID174542807
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-methyl-1-(sulfinoamino)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)
InChIKeyQXUUNCGQDXKCRG-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(sulfinoamino)cyclopentane?
The IUPAC name of 1-methyl-1-(sulfinoamino)cyclopentane (CID 174542807) is 1-methyl-1-(sulfinoamino)cyclopentane.
What is the SMILES notation for 1-methyl-1-(sulfinoamino)cyclopentane?
The canonical SMILES for 1-methyl-1-(sulfinoamino)cyclopentane is CC1(NS(=O)O)CCCC1.
What is the InChIKey of 1-methyl-1-(sulfinoamino)cyclopentane?
The InChIKey is QXUUNCGQDXKCRG-UHFFFAOYSA-N. 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).
What are the key properties of 1-methyl-1-(sulfinoamino)cyclopentane?
1-methyl-1-(sulfinoamino)cyclopentane has a molecular weight of 163.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(sulfinoamino)cyclopentane is sourced from PubChem (CID 174542807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).