(R)-N-ethylhexane-1-sulfinamide

C8H19NOS — CID 163676381

IUPAC(R)-N-ethylhexane-1-sulfinamide
SMILESCCCCCC[S@@](=O)NCC
InChIInChI=1S/C8H19NOS/c1-3-5-6-7-8-11(10)9-4-2/h9H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyJHBDVSXYIZUXEL-LLVKDONJSA-N
MW177.31 g/mol
LogP1.84
Rot. Bonds7

About (R)-N-ethylhexane-1-sulfinamide

(R)-N-ethylhexane-1-sulfinamide (PubChem CID 163676381) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is (R)-N-ethylhexane-1-sulfinamide.

Molecular Properties

Compound Name(R)-N-ethylhexane-1-sulfinamide
PubChem CID163676381
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name(R)-N-ethylhexane-1-sulfinamide
SMILESCCCCCC[S@@](=O)NCC
InChIInChI=1S/C8H19NOS/c1-3-5-6-7-8-11(10)9-4-2/h9H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyJHBDVSXYIZUXEL-LLVKDONJSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (R)-N-ethylhexane-1-sulfinamide?
The IUPAC name of (R)-N-ethylhexane-1-sulfinamide (CID 163676381) is (R)-N-ethylhexane-1-sulfinamide.
What is the SMILES notation for (R)-N-ethylhexane-1-sulfinamide?
The canonical SMILES for (R)-N-ethylhexane-1-sulfinamide is CCCCCC[S@@](=O)NCC.
What is the InChIKey of (R)-N-ethylhexane-1-sulfinamide?
The InChIKey is JHBDVSXYIZUXEL-LLVKDONJSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-5-6-7-8-11(10)9-4-2/h9H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-N-ethylhexane-1-sulfinamide?
(R)-N-ethylhexane-1-sulfinamide has a molecular weight of 177.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-ethylhexane-1-sulfinamide is sourced from PubChem (CID 163676381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).