3-methyl-1-[methyl(sulfinato)amino]pentane

C7H16NO2S- — CID 56984531

IUPAC3-methyl-1-[methyl(sulfinato)amino]pentane
SMILESCCC(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-7(2)5-6-8(3)11(9)10/h7H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyFNKLBMAKALCHQK-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.15
Rot. Bonds5

About 3-methyl-1-[methyl(sulfinato)amino]pentane

3-methyl-1-[methyl(sulfinato)amino]pentane (PubChem CID 56984531) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-1-[methyl(sulfinato)amino]pentane.

Molecular Properties

Compound Name3-methyl-1-[methyl(sulfinato)amino]pentane
PubChem CID56984531
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name3-methyl-1-[methyl(sulfinato)amino]pentane
SMILESCCC(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-7(2)5-6-8(3)11(9)10/h7H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyFNKLBMAKALCHQK-UHFFFAOYSA-M
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.15
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-1-[methyl(sulfinato)amino]pentane?
The IUPAC name of 3-methyl-1-[methyl(sulfinato)amino]pentane (CID 56984531) is 3-methyl-1-[methyl(sulfinato)amino]pentane.
What is the SMILES notation for 3-methyl-1-[methyl(sulfinato)amino]pentane?
The canonical SMILES for 3-methyl-1-[methyl(sulfinato)amino]pentane is CCC(C)CCN(C)S(=O)[O-].
What is the InChIKey of 3-methyl-1-[methyl(sulfinato)amino]pentane?
The InChIKey is FNKLBMAKALCHQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-4-7(2)5-6-8(3)11(9)10/h7H,4-6H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 3-methyl-1-[methyl(sulfinato)amino]pentane?
3-methyl-1-[methyl(sulfinato)amino]pentane has a molecular weight of 178.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(sulfinato)amino]pentane is sourced from PubChem (CID 56984531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).