2-methyl-3-(sulfinatoamino)pentane

C6H14NO2S- — CID 56986411

IUPAC2-methyl-3-(sulfinatoamino)pentane
SMILESCCC(NS(=O)[O-])C(C)C
InChIInChI=1S/C6H15NO2S/c1-4-6(5(2)3)7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyFSGVYDJCBRURQT-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.80
Rot. Bonds4

About 2-methyl-3-(sulfinatoamino)pentane

2-methyl-3-(sulfinatoamino)pentane (PubChem CID 56986411) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-3-(sulfinatoamino)pentane.

Molecular Properties

Compound Name2-methyl-3-(sulfinatoamino)pentane
PubChem CID56986411
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2-methyl-3-(sulfinatoamino)pentane
SMILESCCC(NS(=O)[O-])C(C)C
InChIInChI=1S/C6H15NO2S/c1-4-6(5(2)3)7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyFSGVYDJCBRURQT-UHFFFAOYSA-M
XLogP0.80
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.80
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 2-methyl-3-(sulfinatoamino)pentane?
The IUPAC name of 2-methyl-3-(sulfinatoamino)pentane (CID 56986411) is 2-methyl-3-(sulfinatoamino)pentane.
What is the SMILES notation for 2-methyl-3-(sulfinatoamino)pentane?
The canonical SMILES for 2-methyl-3-(sulfinatoamino)pentane is CCC(NS(=O)[O-])C(C)C.
What is the InChIKey of 2-methyl-3-(sulfinatoamino)pentane?
The InChIKey is FSGVYDJCBRURQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(5(2)3)7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 2-methyl-3-(sulfinatoamino)pentane?
2-methyl-3-(sulfinatoamino)pentane has a molecular weight of 164.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(sulfinatoamino)pentane is sourced from PubChem (CID 56986411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).