3-[(sulfinatoamino)methyl]pentane

C6H14NO2S- — CID 57224728

IUPAC3-[(sulfinatoamino)methyl]pentane
SMILESCCC(CC)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-6(4-2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyFIDCMMYYGFVIGI-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.81
Rot. Bonds5

About 3-[(sulfinatoamino)methyl]pentane

3-[(sulfinatoamino)methyl]pentane (PubChem CID 57224728) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(sulfinatoamino)methyl]pentane.

Molecular Properties

Compound Name3-[(sulfinatoamino)methyl]pentane
PubChem CID57224728
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name3-[(sulfinatoamino)methyl]pentane
SMILESCCC(CC)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-6(4-2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyFIDCMMYYGFVIGI-UHFFFAOYSA-M
XLogP0.81
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.81
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 3-[(sulfinatoamino)methyl]pentane?
The IUPAC name of 3-[(sulfinatoamino)methyl]pentane (CID 57224728) is 3-[(sulfinatoamino)methyl]pentane.
What is the SMILES notation for 3-[(sulfinatoamino)methyl]pentane?
The canonical SMILES for 3-[(sulfinatoamino)methyl]pentane is CCC(CC)CNS(=O)[O-].
What is the InChIKey of 3-[(sulfinatoamino)methyl]pentane?
The InChIKey is FIDCMMYYGFVIGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-3-6(4-2)5-7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 3-[(sulfinatoamino)methyl]pentane?
3-[(sulfinatoamino)methyl]pentane has a molecular weight of 164.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfinatoamino)methyl]pentane is sourced from PubChem (CID 57224728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).