2-(thian-3-ylamino)ethanol

C7H15NOS — CID 62871965

IUPAC2-(thian-3-ylamino)ethanol
SMILESOCCNC1CCCSC1
InChIInChI=1S/C7H15NOS/c9-4-3-8-7-2-1-5-10-6-7/h7-9H,1-6H2
InChIKeyPIVFLGPLCOEYBH-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds3

About 2-(thian-3-ylamino)ethanol

2-(thian-3-ylamino)ethanol (PubChem CID 62871965) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(thian-3-ylamino)ethanol.

Molecular Properties

Compound Name2-(thian-3-ylamino)ethanol
PubChem CID62871965
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(thian-3-ylamino)ethanol
SMILESOCCNC1CCCSC1
InChIInChI=1S/C7H15NOS/c9-4-3-8-7-2-1-5-10-6-7/h7-9H,1-6H2
InChIKeyPIVFLGPLCOEYBH-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholin-3-ylmethanol
CID 13626924
2-[(Thian-4-yl)amino]ethan-1-ol
CID 43394812
2-[(Thian-4-yl)amino]ethan-1-ol hydrochloride
CID 91647800
1,1-Difluoro-3-(thian-4-ylamino)propan-2-ol
CID 103731663
1,1,1-Trifluoro-3-(thian-3-ylamino)propan-2-ol
CID 104176010
1,1-Difluoro-3-(thian-3-ylamino)propan-2-ol
CID 104176271
1,1,1-Trifluoro-3-(thian-4-ylamino)propan-2-ol
CID 115592467
1-Fluoro-3-[(thian-3-yl)amino]propan-2-ol
CID 165736835
1-Fluoro-3-[(thian-4-yl)amino]propan-2-ol
CID 165786845
1-Fluoro-3-[(2-methylthian-4-yl)amino]propan-2-ol
CID 165788408
1-Thiomorpholin-3-ylethanol
CID 23090232
4-[(2-Hydroxyethyl)amino]-1lambda6-thiane-1,1-dione
CID 23537224

Frequently Asked Questions

What is the IUPAC name of 2-(thian-3-ylamino)ethanol?
The IUPAC name of 2-(thian-3-ylamino)ethanol (CID 62871965) is 2-(thian-3-ylamino)ethanol.
What is the SMILES notation for 2-(thian-3-ylamino)ethanol?
The canonical SMILES for 2-(thian-3-ylamino)ethanol is OCCNC1CCCSC1.
What is the InChIKey of 2-(thian-3-ylamino)ethanol?
The InChIKey is PIVFLGPLCOEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c9-4-3-8-7-2-1-5-10-6-7/h7-9H,1-6H2.
What are the key properties of 2-(thian-3-ylamino)ethanol?
2-(thian-3-ylamino)ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-3-ylamino)ethanol is sourced from PubChem (CID 62871965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).