4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol

C11H25NOS — CID 90905867

IUPAC4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol
SMILESCCC(C)CC(CC)CC(O)CNS
InChIInChI=1S/C11H25NOS/c1-4-9(3)6-10(5-2)7-11(13)8-12-14/h9-14H,4-8H2,1-3H3
InChIKeyQUZXLSZWLAOQLK-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.63
Rot. Bonds8

About 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol

4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol (PubChem CID 90905867) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol.

Molecular Properties

Compound Name4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol
PubChem CID90905867
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol
SMILESCCC(C)CC(CC)CC(O)CNS
InChIInChI=1S/C11H25NOS/c1-4-9(3)6-10(5-2)7-11(13)8-12-14/h9-14H,4-8H2,1-3H3
InChIKeyQUZXLSZWLAOQLK-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol?
The IUPAC name of 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol (CID 90905867) is 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol.
What is the SMILES notation for 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol?
The canonical SMILES for 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol is CCC(C)CC(CC)CC(O)CNS.
What is the InChIKey of 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol?
The InChIKey is QUZXLSZWLAOQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-9(3)6-10(5-2)7-11(13)8-12-14/h9-14H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol?
4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-1-(sulfanylamino)octan-2-ol is sourced from PubChem (CID 90905867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).