1-(propan-2-ylsulfonimidoyl)propan-2-one

C6H13NO2S — CID 160692010

IUPAC1-(propan-2-ylsulfonimidoyl)propan-2-one
SMILES[H]N=S(=O)(CC(C)=O)C(C)C
InChIInChI=1S/C6H13NO2S/c1-5(2)10(7,9)4-6(3)8/h5,7H,4H2,1-3H3
InChIKeyNGUVFZWKMOUKKH-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.03
Rot. Bonds3

About 1-(propan-2-ylsulfonimidoyl)propan-2-one

1-(propan-2-ylsulfonimidoyl)propan-2-one (PubChem CID 160692010) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-(propan-2-ylsulfonimidoyl)propan-2-one.

Molecular Properties

Compound Name1-(propan-2-ylsulfonimidoyl)propan-2-one
PubChem CID160692010
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-(propan-2-ylsulfonimidoyl)propan-2-one
SMILES[H]N=S(=O)(CC(C)=O)C(C)C
InChIInChI=1S/C6H13NO2S/c1-5(2)10(7,9)4-6(3)8/h5,7H,4H2,1-3H3
InChIKeyNGUVFZWKMOUKKH-UHFFFAOYSA-N
XLogP1.03
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfonimidoyl)propan-2-one?
The IUPAC name of 1-(propan-2-ylsulfonimidoyl)propan-2-one (CID 160692010) is 1-(propan-2-ylsulfonimidoyl)propan-2-one.
What is the SMILES notation for 1-(propan-2-ylsulfonimidoyl)propan-2-one?
The canonical SMILES for 1-(propan-2-ylsulfonimidoyl)propan-2-one is [H]N=S(=O)(CC(C)=O)C(C)C.
What is the InChIKey of 1-(propan-2-ylsulfonimidoyl)propan-2-one?
The InChIKey is NGUVFZWKMOUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5(2)10(7,9)4-6(3)8/h5,7H,4H2,1-3H3.
What are the key properties of 1-(propan-2-ylsulfonimidoyl)propan-2-one?
1-(propan-2-ylsulfonimidoyl)propan-2-one has a molecular weight of 163.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfonimidoyl)propan-2-one is sourced from PubChem (CID 160692010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).