1-prop-2-enylsulfanylpyrrolidine

C7H13NS — CID 88622384

IUPAC1-prop-2-enylsulfanylpyrrolidine
SMILESC=CCSN1CCCC1
InChIInChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyDDHGLYNHBNTUQL-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.92
Rot. Bonds3

About 1-prop-2-enylsulfanylpyrrolidine

1-prop-2-enylsulfanylpyrrolidine (PubChem CID 88622384) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-prop-2-enylsulfanylpyrrolidine
PubChem CID88622384
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-prop-2-enylsulfanylpyrrolidine
SMILESC=CCSN1CCCC1
InChIInChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyDDHGLYNHBNTUQL-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-3H-1,2-thiazole
CID 70391304
1-Pyrrolidin-1-ylprop-2-ene-1-thiol
CID 87606252
1-Prop-2-enylpyrrolidine-3-thiol
CID 87670206
2-butyl-3H-1,2-thiazole
CID 141021462
1-Ethenylsulfanylpyrrolidine
CID 141062677
2-propyl-3H-1,2-thiazole
CID 141087407
Dimethyl-prop-2-enyl-pyrrolidin-1-yl-lambda4-sulfane
CID 170210014
2-Prop-2-enyl-1,2-thiazolidine
CID 173075063
3-Pyrrolidin-1-ylprop-1-ene-1-thiol
CID 173118601
1-Prop-2-enylpyrrolidine-2-thiol
CID 174312220
1-Prop-2-enylsulfinylpyrrolidine
CID 102223206
Ethenyl-methylidene-pyrrolidin-1-yl-lambda4-sulfane
CID 166115326

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanylpyrrolidine?
The IUPAC name of 1-prop-2-enylsulfanylpyrrolidine (CID 88622384) is 1-prop-2-enylsulfanylpyrrolidine.
What is the SMILES notation for 1-prop-2-enylsulfanylpyrrolidine?
The canonical SMILES for 1-prop-2-enylsulfanylpyrrolidine is C=CCSN1CCCC1.
What is the InChIKey of 1-prop-2-enylsulfanylpyrrolidine?
The InChIKey is DDHGLYNHBNTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2.
What are the key properties of 1-prop-2-enylsulfanylpyrrolidine?
1-prop-2-enylsulfanylpyrrolidine has a molecular weight of 143.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylpyrrolidine is sourced from PubChem (CID 88622384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).