(2S)-3-(thian-3-ylamino)propane-1,2-diol

C8H17NO2S — CID 104870598

IUPAC(2S)-3-(thian-3-ylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNC1CCCSC1
InChIInChI=1S/C8H17NO2S/c10-5-8(11)4-9-7-2-1-3-12-6-7/h7-11H,1-6H2/t7?,8-/m0/s1
InChIKeyFIBGIYRLUJUWGO-MQWKRIRWSA-N
MW191.30 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-3-(thian-3-ylamino)propane-1,2-diol

(2S)-3-(thian-3-ylamino)propane-1,2-diol (PubChem CID 104870598) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2S)-3-(thian-3-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(thian-3-ylamino)propane-1,2-diol
PubChem CID104870598
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2S)-3-(thian-3-ylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNC1CCCSC1
InChIInChI=1S/C8H17NO2S/c10-5-8(11)4-9-7-2-1-3-12-6-7/h7-11H,1-6H2/t7?,8-/m0/s1
InChIKeyFIBGIYRLUJUWGO-MQWKRIRWSA-N
XLogP-0.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(thian-3-ylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
1-(thian-3-ylamino)propan-2-ol
CID 62873442
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
CID 99717414
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
2-(thian-3-ylamino)acetic acid
CID 62872146
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(thian-3-ylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(thian-3-ylamino)propane-1,2-diol (CID 104870598) is (2S)-3-(thian-3-ylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(thian-3-ylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(thian-3-ylamino)propane-1,2-diol is OC[C@@H](O)CNC1CCCSC1.
What is the InChIKey of (2S)-3-(thian-3-ylamino)propane-1,2-diol?
The InChIKey is FIBGIYRLUJUWGO-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NO2S/c10-5-8(11)4-9-7-2-1-3-12-6-7/h7-11H,1-6H2/t7?,8-/m0/s1.
What are the key properties of (2S)-3-(thian-3-ylamino)propane-1,2-diol?
(2S)-3-(thian-3-ylamino)propane-1,2-diol has a molecular weight of 191.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(thian-3-ylamino)propane-1,2-diol is sourced from PubChem (CID 104870598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).