3-[methyl(sulfinato)amino]pentane

C6H14NO2S- — CID 57277652

IUPAC3-[methyl(sulfinato)amino]pentane
SMILESCCC(CC)N(C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyGZMOWSKDNJPSPE-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.90
Rot. Bonds4

About 3-[methyl(sulfinato)amino]pentane

3-[methyl(sulfinato)amino]pentane (PubChem CID 57277652) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[methyl(sulfinato)amino]pentane.

Molecular Properties

Compound Name3-[methyl(sulfinato)amino]pentane
PubChem CID57277652
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name3-[methyl(sulfinato)amino]pentane
SMILESCCC(CC)N(C)S(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1
InChIKeyGZMOWSKDNJPSPE-UHFFFAOYSA-M
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
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-[methyl(sulfinato)amino]pentane?
The IUPAC name of 3-[methyl(sulfinato)amino]pentane (CID 57277652) is 3-[methyl(sulfinato)amino]pentane.
What is the SMILES notation for 3-[methyl(sulfinato)amino]pentane?
The canonical SMILES for 3-[methyl(sulfinato)amino]pentane is CCC(CC)N(C)S(=O)[O-].
What is the InChIKey of 3-[methyl(sulfinato)amino]pentane?
The InChIKey is GZMOWSKDNJPSPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(5-2)7(3)10(8)9/h6H,4-5H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 3-[methyl(sulfinato)amino]pentane?
3-[methyl(sulfinato)amino]pentane has a molecular weight of 164.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(sulfinato)amino]pentane is sourced from PubChem (CID 57277652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).