2,2-dimethyl-3-(sulfinoamino)butane

C6H15NO2S — CID 21492134

IUPAC2,2-dimethyl-3-(sulfinoamino)butane
SMILESCC(NS(=O)O)C(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9)
InChIKeyKDSLUHSGALBEGG-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.15
Rot. Bonds2

About 2,2-dimethyl-3-(sulfinoamino)butane

2,2-dimethyl-3-(sulfinoamino)butane (PubChem CID 21492134) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(sulfinoamino)butane.

Molecular Properties

Compound Name2,2-dimethyl-3-(sulfinoamino)butane
PubChem CID21492134
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2,2-dimethyl-3-(sulfinoamino)butane
SMILESCC(NS(=O)O)C(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9)
InChIKeyKDSLUHSGALBEGG-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-3-(sulfinoamino)butane?
The IUPAC name of 2,2-dimethyl-3-(sulfinoamino)butane (CID 21492134) is 2,2-dimethyl-3-(sulfinoamino)butane.
What is the SMILES notation for 2,2-dimethyl-3-(sulfinoamino)butane?
The canonical SMILES for 2,2-dimethyl-3-(sulfinoamino)butane is CC(NS(=O)O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-(sulfinoamino)butane?
The InChIKey is KDSLUHSGALBEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9).
What are the key properties of 2,2-dimethyl-3-(sulfinoamino)butane?
2,2-dimethyl-3-(sulfinoamino)butane has a molecular weight of 165.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(sulfinoamino)butane is sourced from PubChem (CID 21492134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).