[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol

C9H19NO2S — CID 79950775

IUPAC[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol
SMILESCOCCNC1(CO)CSC(C)C1
InChIInChI=1S/C9H19NO2S/c1-8-5-9(6-11,7-13-8)10-3-4-12-2/h8,10-11H,3-7H2,1-2H3
InChIKeyZNPVCWFHBCHCHP-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.48
Rot. Bonds5

About [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol

[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol (PubChem CID 79950775) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol
PubChem CID79950775
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol
SMILESCOCCNC1(CO)CSC(C)C1
InChIInChI=1S/C9H19NO2S/c1-8-5-9(6-11,7-13-8)10-3-4-12-2/h8,10-11H,3-7H2,1-2H3
InChIKeyZNPVCWFHBCHCHP-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-Methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 79950653
[3-(Propan-2-ylamino)thiolan-3-yl]methanol
CID 61049593
[3-(Butan-2-ylamino)thiolan-3-yl]methanol
CID 61049608
[3-(Oxolan-2-ylmethylamino)thiolan-3-yl]methanol
CID 61049964
[3-(Propylamino)thiolan-3-yl]methanol
CID 61054578
[3-(2-Methylpropylamino)thiolan-3-yl]methanol
CID 61055139
4-Methyl-2-[(thiolan-3-yl)amino]pentan-1-ol
CID 61242208
4-Methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
CID 61247429
[4-(2-Methoxyethylamino)thian-4-yl]methanol
CID 62542802
[3-(2-Methoxyethylamino)thiolan-3-yl]methanol
CID 62543490
[3-(Oxolan-2-ylmethylamino)thian-3-yl]methanol
CID 62872051
[3-(Propan-2-ylamino)thian-3-yl]methanol
CID 62872201

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol?
The IUPAC name of [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol (CID 79950775) is [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol?
The canonical SMILES for [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol is COCCNC1(CO)CSC(C)C1.
What is the InChIKey of [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol?
The InChIKey is ZNPVCWFHBCHCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8-5-9(6-11,7-13-8)10-3-4-12-2/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol?
[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol has a molecular weight of 205.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol is sourced from PubChem (CID 79950775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).