4,4-dimethyl-1-(sulfinatoamino)pentane

C7H16NO2S- — CID 91803050

IUPAC4,4-dimethyl-1-(sulfinatoamino)pentane
SMILESCC(C)(C)CCCNS(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyMIZUYOJVORYOSO-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.20
Rot. Bonds4

About 4,4-dimethyl-1-(sulfinatoamino)pentane

4,4-dimethyl-1-(sulfinatoamino)pentane (PubChem CID 91803050) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(sulfinatoamino)pentane.

Molecular Properties

Compound Name4,4-dimethyl-1-(sulfinatoamino)pentane
PubChem CID91803050
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name4,4-dimethyl-1-(sulfinatoamino)pentane
SMILESCC(C)(C)CCCNS(=O)[O-]
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1
InChIKeyMIZUYOJVORYOSO-UHFFFAOYSA-M
XLogP1.20
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
4-Methyl-1-(sulfinatoamino)pentane
CID 23083346
2-Methyl-1-(sulfinatoamino)pentane
CID 57093103
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733
3,5,5-Trimethyl-1-(sulfinatoamino)hexane
CID 57421741
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
4-Methyl-1-(sulfamoylamino)pentane
CID 59849306
4,4-Dimethylpentylsulfamic acid
CID 87283508
5,5-Dimethylhexylsulfamic acid
CID 87283510
2,2,4-Trimethyl-1-(sulfamoylamino)pentane
CID 89105586

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(sulfinatoamino)pentane?
The IUPAC name of 4,4-dimethyl-1-(sulfinatoamino)pentane (CID 91803050) is 4,4-dimethyl-1-(sulfinatoamino)pentane.
What is the SMILES notation for 4,4-dimethyl-1-(sulfinatoamino)pentane?
The canonical SMILES for 4,4-dimethyl-1-(sulfinatoamino)pentane is CC(C)(C)CCCNS(=O)[O-].
What is the InChIKey of 4,4-dimethyl-1-(sulfinatoamino)pentane?
The InChIKey is MIZUYOJVORYOSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 4,4-dimethyl-1-(sulfinatoamino)pentane?
4,4-dimethyl-1-(sulfinatoamino)pentane has a molecular weight of 178.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(sulfinatoamino)pentane is sourced from PubChem (CID 91803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).