2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane

C11H23NO2S — CID 153349611

IUPAC2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane
SMILESCC(C)C.OCC(NS)C1CCC=CO1
InChIInChI=1S/C7H13NO2S.C4H10/c9-5-6(8-11)7-3-1-2-4-10-7;1-4(2)3/h2,4,6-9,11H,1,3,5H2;4H,1-3H3
InChIKeySETQDYAMTFTFAZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane

2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane (PubChem CID 153349611) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane
PubChem CID153349611
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane
SMILESCC(C)C.OCC(NS)C1CCC=CO1
InChIInChI=1S/C7H13NO2S.C4H10/c9-5-6(8-11)7-3-1-2-4-10-7;1-4(2)3/h2,4,6-9,11H,1,3,5H2;4H,1-3H3
InChIKeySETQDYAMTFTFAZ-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 137531355
(1S)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine;molecular hydrogen;hydrate
CID 142537422
(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine;molecular hydrogen;hydrate
CID 142537442
N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 142537529
N-[1-(3,4-dihydro-2H-pyran-2-yl)propyl]thiohydroxylamine;methane;2-methylpropane
CID 142537543
N-[1-(3,4-dihydro-2H-pyran-2-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 166506814
N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 166506836
(S)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 137531467
2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol
CID 153349612

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane (CID 153349611) is 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane is CC(C)C.OCC(NS)C1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane?
The InChIKey is SETQDYAMTFTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.C4H10/c9-5-6(8-11)7-3-1-2-4-10-7;1-4(2)3/h2,4,6-9,11H,1,3,5H2;4H,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane?
2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane has a molecular weight of 233.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane is sourced from PubChem (CID 153349611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).