2-(thian-2-ylmethylamino)ethanol

C8H17NOS — CID 80601199

IUPAC2-(thian-2-ylmethylamino)ethanol
SMILESOCCNCC1CCCCS1
InChIInChI=1S/C8H17NOS/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2
InChIKeyLCJCFVSLDULTDH-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About 2-(thian-2-ylmethylamino)ethanol

2-(thian-2-ylmethylamino)ethanol (PubChem CID 80601199) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(thian-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(thian-2-ylmethylamino)ethanol
PubChem CID80601199
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(thian-2-ylmethylamino)ethanol
SMILESOCCNCC1CCCCS1
InChIInChI=1S/C8H17NOS/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2
InChIKeyLCJCFVSLDULTDH-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(thian-2-ylmethylamino)propanenitrile
CID 80601296
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
N-(thian-2-ylmethyl)hexan-1-amine
CID 80600552
5-(thian-2-ylmethylamino)pentanoic acid
CID 103257954
N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
CID 80599931
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
3-[(thian-2-ylmethylamino)methyl]pentan-3-ol
CID 114493399
1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
CID 80600576
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174

Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-ylmethylamino)ethanol?
The IUPAC name of 2-(thian-2-ylmethylamino)ethanol (CID 80601199) is 2-(thian-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(thian-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(thian-2-ylmethylamino)ethanol is OCCNCC1CCCCS1.
What is the InChIKey of 2-(thian-2-ylmethylamino)ethanol?
The InChIKey is LCJCFVSLDULTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2.
What are the key properties of 2-(thian-2-ylmethylamino)ethanol?
2-(thian-2-ylmethylamino)ethanol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-ylmethylamino)ethanol is sourced from PubChem (CID 80601199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).