2,3-dimethyl-1-(sulfinatoamino)butane

C6H14NO2S- — CID 57203135

IUPAC2,3-dimethyl-1-(sulfinatoamino)butane
SMILESCC(C)C(C)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-5(2)6(3)4-7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyBUFUHMGBIQTEGF-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.66
Rot. Bonds4

About 2,3-dimethyl-1-(sulfinatoamino)butane

2,3-dimethyl-1-(sulfinatoamino)butane (PubChem CID 57203135) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3-dimethyl-1-(sulfinatoamino)butane.

Molecular Properties

Compound Name2,3-dimethyl-1-(sulfinatoamino)butane
PubChem CID57203135
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2,3-dimethyl-1-(sulfinatoamino)butane
SMILESCC(C)C(C)CNS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-5(2)6(3)4-7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1
InChIKeyBUFUHMGBIQTEGF-UHFFFAOYSA-M
XLogP0.66
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Sulfinatoamino)butane
CID 18314787
3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
2-Methyl-1-(sulfinatoamino)propane
CID 21703073
4-Methyl-1-(sulfinatoamino)pentane
CID 23083346
2-Methylbutylsulfamic acid
CID 53672903
3-Methylbutylsulfamic acid
CID 54473409
3-Methyl-1-(sulfinatoamino)butane
CID 57048746
2-Methyl-1-(sulfinatoamino)pentane
CID 57093103
3-Methyl-1-(sulfinatoamino)pentane
CID 57164532
3-[(Sulfinatoamino)methyl]pentane
CID 57224728
2-Methyl-3-(sulfinatoamino)butane
CID 57315339

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(sulfinatoamino)butane?
The IUPAC name of 2,3-dimethyl-1-(sulfinatoamino)butane (CID 57203135) is 2,3-dimethyl-1-(sulfinatoamino)butane.
What is the SMILES notation for 2,3-dimethyl-1-(sulfinatoamino)butane?
The canonical SMILES for 2,3-dimethyl-1-(sulfinatoamino)butane is CC(C)C(C)CNS(=O)[O-].
What is the InChIKey of 2,3-dimethyl-1-(sulfinatoamino)butane?
The InChIKey is BUFUHMGBIQTEGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-5(2)6(3)4-7-10(8)9/h5-7H,4H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 2,3-dimethyl-1-(sulfinatoamino)butane?
2,3-dimethyl-1-(sulfinatoamino)butane has a molecular weight of 164.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(sulfinatoamino)butane is sourced from PubChem (CID 57203135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).