(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol

C8H13NS — CID 59200555

IUPAC(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol
SMILESCN[C@@H](CS)C1=CC=CC1
InChIInChI=1S/C8H13NS/c1-9-8(6-10)7-4-2-3-5-7/h2-4,8-10H,5-6H2,1H3/t8-/m0/s1
InChIKeyAMYNUXAGUQAOKD-QMMMGPOBSA-N
MW155.27 g/mol
LogP1.39
Rot. Bonds3

About (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol

(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol (PubChem CID 59200555) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol.

Molecular Properties

Compound Name(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol
PubChem CID59200555
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol
SMILESCN[C@@H](CS)C1=CC=CC1
InChIInChI=1S/C8H13NS/c1-9-8(6-10)7-4-2-3-5-7/h2-4,8-10H,5-6H2,1H3/t8-/m0/s1
InChIKeyAMYNUXAGUQAOKD-QMMMGPOBSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol?
The IUPAC name of (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol (CID 59200555) is (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol.
What is the SMILES notation for (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol?
The canonical SMILES for (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol is CN[C@@H](CS)C1=CC=CC1.
What is the InChIKey of (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol?
The InChIKey is AMYNUXAGUQAOKD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NS/c1-9-8(6-10)7-4-2-3-5-7/h2-4,8-10H,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol?
(2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol has a molecular weight of 155.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopenta-1,3-dien-1-yl-2-(methylamino)ethanethiol is sourced from PubChem (CID 59200555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).