2-(2-methylidenepyrrolidin-1-yl)ethanethiol

C7H13NS — CID 142105892

IUPAC2-(2-methylidenepyrrolidin-1-yl)ethanethiol
SMILESC=C1CCCN1CCS
InChIInChI=1S/C7H13NS/c1-7-3-2-4-8(7)5-6-9/h9H,1-6H2
InChIKeyINACBOXKZAJGRD-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-methylidenepyrrolidin-1-yl)ethanethiol

2-(2-methylidenepyrrolidin-1-yl)ethanethiol (PubChem CID 142105892) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-(2-methylidenepyrrolidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(2-methylidenepyrrolidin-1-yl)ethanethiol
PubChem CID142105892
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-(2-methylidenepyrrolidin-1-yl)ethanethiol
SMILESC=C1CCCN1CCS
InChIInChI=1S/C7H13NS/c1-7-3-2-4-8(7)5-6-9/h9H,1-6H2
InChIKeyINACBOXKZAJGRD-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 2-(2-methylidenepyrrolidin-1-yl)ethanethiol?
The IUPAC name of 2-(2-methylidenepyrrolidin-1-yl)ethanethiol (CID 142105892) is 2-(2-methylidenepyrrolidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(2-methylidenepyrrolidin-1-yl)ethanethiol?
The canonical SMILES for 2-(2-methylidenepyrrolidin-1-yl)ethanethiol is C=C1CCCN1CCS.
What is the InChIKey of 2-(2-methylidenepyrrolidin-1-yl)ethanethiol?
The InChIKey is INACBOXKZAJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7-3-2-4-8(7)5-6-9/h9H,1-6H2.
What are the key properties of 2-(2-methylidenepyrrolidin-1-yl)ethanethiol?
2-(2-methylidenepyrrolidin-1-yl)ethanethiol has a molecular weight of 143.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenepyrrolidin-1-yl)ethanethiol is sourced from PubChem (CID 142105892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).