[4-(2-methoxyethylamino)thian-4-yl]methanol

C9H19NO2S — CID 62542802

IUPAC[4-(2-methoxyethylamino)thian-4-yl]methanol
SMILESCOCCNC1(CO)CCSCC1
InChIInChI=1S/C9H19NO2S/c1-12-5-4-10-9(8-11)2-6-13-7-3-9/h10-11H,2-8H2,1H3
InChIKeyFZDCMWVFBDUJHD-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.48
Rot. Bonds5

About [4-(2-methoxyethylamino)thian-4-yl]methanol

[4-(2-methoxyethylamino)thian-4-yl]methanol (PubChem CID 62542802) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is [4-(2-methoxyethylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethylamino)thian-4-yl]methanol
PubChem CID62542802
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name[4-(2-methoxyethylamino)thian-4-yl]methanol
SMILESCOCCNC1(CO)CCSCC1
InChIInChI=1S/C9H19NO2S/c1-12-5-4-10-9(8-11)2-6-13-7-3-9/h10-11H,2-8H2,1H3
InChIKeyFZDCMWVFBDUJHD-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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethylamino)thian-4-yl]methanol?
The IUPAC name of [4-(2-methoxyethylamino)thian-4-yl]methanol (CID 62542802) is [4-(2-methoxyethylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(2-methoxyethylamino)thian-4-yl]methanol is COCCNC1(CO)CCSCC1.
What is the InChIKey of [4-(2-methoxyethylamino)thian-4-yl]methanol?
The InChIKey is FZDCMWVFBDUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-12-5-4-10-9(8-11)2-6-13-7-3-9/h10-11H,2-8H2,1H3.
What are the key properties of [4-(2-methoxyethylamino)thian-4-yl]methanol?
[4-(2-methoxyethylamino)thian-4-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 [4-(2-methoxyethylamino)thian-4-yl]methanol is sourced from PubChem (CID 62542802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).