N-propan-2-yl-5-propan-2-ylsulfinylpentanamide

C11H23NO2S — CID 58234198

IUPACN-propan-2-yl-5-propan-2-ylsulfinylpentanamide
SMILESCC(C)NC(=O)CCCCS(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)12-11(13)7-5-6-8-15(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)
InChIKeyFXIGUNRTJORYNQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.84
Rot. Bonds7

About N-propan-2-yl-5-propan-2-ylsulfinylpentanamide

N-propan-2-yl-5-propan-2-ylsulfinylpentanamide (PubChem CID 58234198) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-propan-2-yl-5-propan-2-ylsulfinylpentanamide.

Molecular Properties

Compound NameN-propan-2-yl-5-propan-2-ylsulfinylpentanamide
PubChem CID58234198
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-propan-2-yl-5-propan-2-ylsulfinylpentanamide
SMILESCC(C)NC(=O)CCCCS(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)12-11(13)7-5-6-8-15(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)
InChIKeyFXIGUNRTJORYNQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-propan-2-ylsulfinylpentanamide?
The IUPAC name of N-propan-2-yl-5-propan-2-ylsulfinylpentanamide (CID 58234198) is N-propan-2-yl-5-propan-2-ylsulfinylpentanamide.
What is the SMILES notation for N-propan-2-yl-5-propan-2-ylsulfinylpentanamide?
The canonical SMILES for N-propan-2-yl-5-propan-2-ylsulfinylpentanamide is CC(C)NC(=O)CCCCS(=O)C(C)C.
What is the InChIKey of N-propan-2-yl-5-propan-2-ylsulfinylpentanamide?
The InChIKey is FXIGUNRTJORYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)12-11(13)7-5-6-8-15(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13).
What are the key properties of N-propan-2-yl-5-propan-2-ylsulfinylpentanamide?
N-propan-2-yl-5-propan-2-ylsulfinylpentanamide has a molecular weight of 233.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-propan-2-ylsulfinylpentanamide is sourced from PubChem (CID 58234198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).