1-methyl-5-prop-1-enylpyrrolidine-3-thiol

C8H15NS — CID 59936387

IUPAC1-methyl-5-prop-1-enylpyrrolidine-3-thiol
SMILESCC=CC1CC(S)CN1C
InChIInChI=1S/C8H15NS/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZBSNDRRNSCHKKJ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-5-prop-1-enylpyrrolidine-3-thiol

1-methyl-5-prop-1-enylpyrrolidine-3-thiol (PubChem CID 59936387) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-5-prop-1-enylpyrrolidine-3-thiol.

Molecular Properties

Compound Name1-methyl-5-prop-1-enylpyrrolidine-3-thiol
PubChem CID59936387
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-methyl-5-prop-1-enylpyrrolidine-3-thiol
SMILESCC=CC1CC(S)CN1C
InChIInChI=1S/C8H15NS/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZBSNDRRNSCHKKJ-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-prop-1-enylpyrrolidine-3-thiol?
The IUPAC name of 1-methyl-5-prop-1-enylpyrrolidine-3-thiol (CID 59936387) is 1-methyl-5-prop-1-enylpyrrolidine-3-thiol.
What is the SMILES notation for 1-methyl-5-prop-1-enylpyrrolidine-3-thiol?
The canonical SMILES for 1-methyl-5-prop-1-enylpyrrolidine-3-thiol is CC=CC1CC(S)CN1C.
What is the InChIKey of 1-methyl-5-prop-1-enylpyrrolidine-3-thiol?
The InChIKey is ZBSNDRRNSCHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 1-methyl-5-prop-1-enylpyrrolidine-3-thiol?
1-methyl-5-prop-1-enylpyrrolidine-3-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-1-enylpyrrolidine-3-thiol is sourced from PubChem (CID 59936387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).