2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol

C9H19NO2S — CID 94885835

IUPAC2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
SMILESOCCOCCN[C@H]1CCCSC1
InChIInChI=1S/C9H19NO2S/c11-4-6-12-5-3-10-9-2-1-7-13-8-9/h9-11H,1-8H2/t9-/m0/s1
InChIKeyMWWYMSWEKYTJBE-VIFPVBQESA-N
MW205.32 g/mol
LogP0.48
Rot. Bonds6

About 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol

2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol (PubChem CID 94885835) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
PubChem CID94885835
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
SMILESOCCOCCN[C@H]1CCCSC1
InChIInChI=1S/C9H19NO2S/c11-4-6-12-5-3-10-9-2-1-7-13-8-9/h9-11H,1-8H2/t9-/m0/s1
InChIKeyMWWYMSWEKYTJBE-VIFPVBQESA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
CID 114817197
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
(2S)-3-(thian-3-ylamino)propane-1,2-diol
CID 104870598
3,3-dimethyl-4-(thian-3-ylamino)butan-1-ol
CID 115882204
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
2-(thian-3-ylamino)acetic acid
CID 62872146
N-(4-methylpentyl)thian-3-amine
CID 62871286
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 61070332

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol (CID 94885835) is 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol is OCCOCCN[C@H]1CCCSC1.
What is the InChIKey of 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol?
The InChIKey is MWWYMSWEKYTJBE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2S/c11-4-6-12-5-3-10-9-2-1-7-13-8-9/h9-11H,1-8H2/t9-/m0/s1.
What are the key properties of 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol?
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol has a molecular weight of 205.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 94885835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).