2-(3-amino-2-methylcyclopentyl)sulfanylethanol

C8H17NOS — CID 64906136

IUPAC2-(3-amino-2-methylcyclopentyl)sulfanylethanol
SMILESCC1C(N)CCC1SCCO
InChIInChI=1S/C8H17NOS/c1-6-7(9)2-3-8(6)11-5-4-10/h6-8,10H,2-5,9H2,1H3
InChIKeyITCIFGRWFYDCAA-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.84
Rot. Bonds3

About 2-(3-amino-2-methylcyclopentyl)sulfanylethanol

2-(3-amino-2-methylcyclopentyl)sulfanylethanol (PubChem CID 64906136) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylcyclopentyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-amino-2-methylcyclopentyl)sulfanylethanol
PubChem CID64906136
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(3-amino-2-methylcyclopentyl)sulfanylethanol
SMILESCC1C(N)CCC1SCCO
InChIInChI=1S/C8H17NOS/c1-6-7(9)2-3-8(6)11-5-4-10/h6-8,10H,2-5,9H2,1H3
InChIKeyITCIFGRWFYDCAA-UHFFFAOYSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylcyclopentyl)sulfanylethanol?
The IUPAC name of 2-(3-amino-2-methylcyclopentyl)sulfanylethanol (CID 64906136) is 2-(3-amino-2-methylcyclopentyl)sulfanylethanol.
What is the SMILES notation for 2-(3-amino-2-methylcyclopentyl)sulfanylethanol?
The canonical SMILES for 2-(3-amino-2-methylcyclopentyl)sulfanylethanol is CC1C(N)CCC1SCCO.
What is the InChIKey of 2-(3-amino-2-methylcyclopentyl)sulfanylethanol?
The InChIKey is ITCIFGRWFYDCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6-7(9)2-3-8(6)11-5-4-10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 2-(3-amino-2-methylcyclopentyl)sulfanylethanol?
2-(3-amino-2-methylcyclopentyl)sulfanylethanol has a molecular weight of 175.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylcyclopentyl)sulfanylethanol is sourced from PubChem (CID 64906136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).