2-(N-amino-S-propan-2-ylsulfonimidoyl)propane

C6H16N2OS — CID 167144720

IUPAC2-(N-amino-S-propan-2-ylsulfonimidoyl)propane
SMILESCC(C)S(=O)(=NN)C(C)C
InChIInChI=1S/C6H16N2OS/c1-5(2)10(9,8-7)6(3)4/h5-6H,7H2,1-4H3
InChIKeyWYMCYSJWDABJFZ-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds2

About 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane

2-(N-amino-S-propan-2-ylsulfonimidoyl)propane (PubChem CID 167144720) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane.

Molecular Properties

Compound Name2-(N-amino-S-propan-2-ylsulfonimidoyl)propane
PubChem CID167144720
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC Name2-(N-amino-S-propan-2-ylsulfonimidoyl)propane
SMILESCC(C)S(=O)(=NN)C(C)C
InChIInChI=1S/C6H16N2OS/c1-5(2)10(9,8-7)6(3)4/h5-6H,7H2,1-4H3
InChIKeyWYMCYSJWDABJFZ-UHFFFAOYSA-N
XLogP1.14
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane?
The IUPAC name of 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane (CID 167144720) is 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane.
What is the SMILES notation for 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane?
The canonical SMILES for 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane is CC(C)S(=O)(=NN)C(C)C.
What is the InChIKey of 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane?
The InChIKey is WYMCYSJWDABJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-5(2)10(9,8-7)6(3)4/h5-6H,7H2,1-4H3.
What are the key properties of 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane?
2-(N-amino-S-propan-2-ylsulfonimidoyl)propane has a molecular weight of 164.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-amino-S-propan-2-ylsulfonimidoyl)propane is sourced from PubChem (CID 167144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).