2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane

C8H19N2O2S- — CID 57206058

IUPAC2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(=O)[O-])C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyPQVHOBQFQWDWCV-UHFFFAOYSA-M
MW207.32 g/mol
LogP0.49
Rot. Bonds6

About 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane

2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane (PubChem CID 57206058) has the molecular formula C8H19N2O2S- and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
PubChem CID57206058
Molecular FormulaC8H19N2O2S-
Molecular Weight207.32 g/mol
Exact Mass207.12
IUPAC Name2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(=O)[O-])C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyPQVHOBQFQWDWCV-UHFFFAOYSA-M
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane?
The IUPAC name of 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane (CID 57206058) is 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane.
What is the SMILES notation for 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane?
The canonical SMILES for 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane is CC(C)N(CCNS(=O)[O-])C(C)C.
What is the InChIKey of 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane?
The InChIKey is PQVHOBQFQWDWCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/p-1.
What are the key properties of 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane?
2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane has a molecular weight of 207.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane is sourced from PubChem (CID 57206058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).