2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol

C9H14N2OS — CID 83124142

IUPAC2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
SMILESC[C@@H](N)c1ccc(SCCO)cn1
InChIInChI=1S/C9H14N2OS/c1-7(10)9-3-2-8(6-11-9)13-5-4-12/h2-3,6-7,12H,4-5,10H2,1H3/t7-/m1/s1
InChIKeyFDVLBSXDZWJTOC-SSDOTTSWSA-N
MW198.29 g/mol
LogP1.19
Rot. Bonds4

About 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol

2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol (PubChem CID 83124142) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
PubChem CID83124142
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
SMILESC[C@@H](N)c1ccc(SCCO)cn1
InChIInChI=1S/C9H14N2OS/c1-7(10)9-3-2-8(6-11-9)13-5-4-12/h2-3,6-7,12H,4-5,10H2,1H3/t7-/m1/s1
InChIKeyFDVLBSXDZWJTOC-SSDOTTSWSA-N
XLogP1.19
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol?
The IUPAC name of 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol (CID 83124142) is 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol?
The canonical SMILES for 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol is C[C@@H](N)c1ccc(SCCO)cn1.
What is the InChIKey of 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol?
The InChIKey is FDVLBSXDZWJTOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(10)9-3-2-8(6-11-9)13-5-4-12/h2-3,6-7,12H,4-5,10H2,1H3/t7-/m1/s1.
What are the key properties of 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol?
2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol is sourced from PubChem (CID 83124142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).