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

C7H13NO2S — CID 153349612

IUPAC2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol
SMILESOCC(NS)C1CCC=CO1
InChIInChI=1S/C7H13NO2S/c9-5-6(8-11)7-3-1-2-4-10-7/h2,4,6-9,11H,1,3,5H2
InChIKeyLYWMEKYQZXZQFQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.47
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol (PubChem CID 153349612) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol
PubChem CID153349612
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol
SMILESOCC(NS)C1CCC=CO1
InChIInChI=1S/C7H13NO2S/c9-5-6(8-11)7-3-1-2-4-10-7/h2,4,6-9,11H,1,3,5H2
InChIKeyLYWMEKYQZXZQFQ-UHFFFAOYSA-N
XLogP0.47
TPSA41.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.47
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
N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 142537529
2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol;2-methylpropane
CID 153349611
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
2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 55254469
3-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 55255825
(S)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 137531467

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol (CID 153349612) is 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol is OCC(NS)C1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol?
The InChIKey is LYWMEKYQZXZQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-5-6(8-11)7-3-1-2-4-10-7/h2,4,6-9,11H,1,3,5H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol?
2-(3,4-dihydro-2H-pyran-2-yl)-2-(sulfanylamino)ethanol has a molecular weight of 175.25 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 153349612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).