(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol

C7H15NOS — CID 67049103

IUPAC(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol
SMILESNC[C@H](O)[C@@H]1CCCCS1
InChIInChI=1S/C7H15NOS/c8-5-6(9)7-3-1-2-4-10-7/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyLHOLOJJOVFJRAE-BQBZGAKWSA-N
MW161.27 g/mol
LogP0.59
Rot. Bonds2

About (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol

(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol (PubChem CID 67049103) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol
PubChem CID67049103
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol
SMILESNC[C@H](O)[C@@H]1CCCCS1
InChIInChI=1S/C7H15NOS/c8-5-6(9)7-3-1-2-4-10-7/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
InChIKeyLHOLOJJOVFJRAE-BQBZGAKWSA-N
XLogP0.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol (CID 67049103) is (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol is NC[C@H](O)[C@@H]1CCCCS1.
What is the InChIKey of (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol?
The InChIKey is LHOLOJJOVFJRAE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NOS/c8-5-6(9)7-3-1-2-4-10-7/h6-7,9H,1-5,8H2/t6-,7-/m0/s1.
What are the key properties of (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol?
(1S)-2-amino-1-[(2S)-thian-2-yl]ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[(2S)-thian-2-yl]ethanol is sourced from PubChem (CID 67049103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).