1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol

C12H19NO2S — CID 134895319

IUPAC1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol
SMILESCCCC(O)C[S@@](=O)(=NC)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-7-11(14)10-16(15,13-2)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3/t11?,16-/m0/s1
InChIKeyCZILBGOUCQWFOD-NBFOKTCDSA-N
MW241.36 g/mol
LogP2.30
Rot. Bonds5

About 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol

1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol (PubChem CID 134895319) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol.

Molecular Properties

Compound Name1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol
PubChem CID134895319
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol
SMILESCCCC(O)C[S@@](=O)(=NC)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-7-11(14)10-16(15,13-2)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3/t11?,16-/m0/s1
InChIKeyCZILBGOUCQWFOD-NBFOKTCDSA-N
XLogP2.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol?
The IUPAC name of 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol (CID 134895319) is 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol.
What is the SMILES notation for 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol?
The canonical SMILES for 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol is CCCC(O)C[S@@](=O)(=NC)c1ccccc1.
What is the InChIKey of 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol?
The InChIKey is CZILBGOUCQWFOD-NBFOKTCDSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-7-11(14)10-16(15,13-2)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3/t11?,16-/m0/s1.
What are the key properties of 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol?
1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methyl-S-phenylsulfonimidoyl)pentan-2-ol is sourced from PubChem (CID 134895319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).