2,2-dimethyl-1-(sulfinoamino)propane

C5H13NO2S — CID 57030063

IUPAC2,2-dimethyl-1-(sulfinoamino)propane
SMILESCC(C)(C)CNS(=O)O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8)
InChIKeyPJMMDJPLTVYMIU-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.76
Rot. Bonds2

About 2,2-dimethyl-1-(sulfinoamino)propane

2,2-dimethyl-1-(sulfinoamino)propane (PubChem CID 57030063) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-(sulfinoamino)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-(sulfinoamino)propane
PubChem CID57030063
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2,2-dimethyl-1-(sulfinoamino)propane
SMILESCC(C)(C)CNS(=O)O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8)
InChIKeyPJMMDJPLTVYMIU-UHFFFAOYSA-N
XLogP0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.76
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-1-(sulfinoamino)propane?
The IUPAC name of 2,2-dimethyl-1-(sulfinoamino)propane (CID 57030063) is 2,2-dimethyl-1-(sulfinoamino)propane.
What is the SMILES notation for 2,2-dimethyl-1-(sulfinoamino)propane?
The canonical SMILES for 2,2-dimethyl-1-(sulfinoamino)propane is CC(C)(C)CNS(=O)O.
What is the InChIKey of 2,2-dimethyl-1-(sulfinoamino)propane?
The InChIKey is PJMMDJPLTVYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8).
What are the key properties of 2,2-dimethyl-1-(sulfinoamino)propane?
2,2-dimethyl-1-(sulfinoamino)propane has a molecular weight of 151.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(sulfinoamino)propane is sourced from PubChem (CID 57030063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).