1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol

C9H19NO2S — CID 103785705

IUPAC1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESCCOCC(O)CNC1CCSC1
InChIInChI=1S/C9H19NO2S/c1-2-12-6-9(11)5-10-8-3-4-13-7-8/h8-11H,2-7H2,1H3
InChIKeyRFMRFHDUPWTXCY-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.48
Rot. Bonds6

About 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol

1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol (PubChem CID 103785705) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
PubChem CID103785705
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESCCOCC(O)CNC1CCSC1
InChIInChI=1S/C9H19NO2S/c1-2-12-6-9(11)5-10-8-3-4-13-7-8/h8-11H,2-7H2,1H3
InChIKeyRFMRFHDUPWTXCY-UHFFFAOYSA-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

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Related Compounds

1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
4-[(3-ethoxy-2-hydroxypropyl)amino]cyclohexane-1-carboxylic acid
CID 63931576
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol (CID 103785705) is 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol is CCOCC(O)CNC1CCSC1.
What is the InChIKey of 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol?
The InChIKey is RFMRFHDUPWTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-12-6-9(11)5-10-8-3-4-13-7-8/h8-11H,2-7H2,1H3.
What are the key properties of 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol?
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol 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 1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 103785705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).