3-methyl-3-(sulfinatoamino)hexane

C7H16NO2S- — CID 57467026

IUPAC3-methyl-3-(sulfinatoamino)hexane
SMILESCCCC(C)(CC)NS(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyMNPOPCUGSCUXJC-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.34
Rot. Bonds5

About 3-methyl-3-(sulfinatoamino)hexane

3-methyl-3-(sulfinatoamino)hexane (PubChem CID 57467026) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-3-(sulfinatoamino)hexane.

Molecular Properties

Compound Name3-methyl-3-(sulfinatoamino)hexane
PubChem CID57467026
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name3-methyl-3-(sulfinatoamino)hexane
SMILESCCCC(C)(CC)NS(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyMNPOPCUGSCUXJC-UHFFFAOYSA-M
XLogP1.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.34
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-methyl-3-(sulfinatoamino)hexane?
The IUPAC name of 3-methyl-3-(sulfinatoamino)hexane (CID 57467026) is 3-methyl-3-(sulfinatoamino)hexane.
What is the SMILES notation for 3-methyl-3-(sulfinatoamino)hexane?
The canonical SMILES for 3-methyl-3-(sulfinatoamino)hexane is CCCC(C)(CC)NS(=O)[O-].
What is the InChIKey of 3-methyl-3-(sulfinatoamino)hexane?
The InChIKey is MNPOPCUGSCUXJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 3-methyl-3-(sulfinatoamino)hexane?
3-methyl-3-(sulfinatoamino)hexane has a molecular weight of 178.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(sulfinatoamino)hexane is sourced from PubChem (CID 57467026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).