2-(prop-2-enylsulfanylmethyl)pyrrolidine

C8H15NS — CID 126976655

IUPAC2-(prop-2-enylsulfanylmethyl)pyrrolidine
SMILESC=CCSCC1CCCN1
InChIInChI=1S/C8H15NS/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2
InChIKeyIHDSZIPTWBTTKA-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds4

About 2-(prop-2-enylsulfanylmethyl)pyrrolidine

2-(prop-2-enylsulfanylmethyl)pyrrolidine (PubChem CID 126976655) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(prop-2-enylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(prop-2-enylsulfanylmethyl)pyrrolidine
PubChem CID126976655
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(prop-2-enylsulfanylmethyl)pyrrolidine
SMILESC=CCSCC1CCCN1
InChIInChI=1S/C8H15NS/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2
InChIKeyIHDSZIPTWBTTKA-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
N-prop-2-enylthiolan-3-amine
CID 43177042
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2,2-Bis(prop-2-enyl)-1,3-thiazolidine
CID 70163327
(2R)-2-(prop-2-enylsulfanylmethyl)pyrrolidine
CID 130507980
4-Pent-4-enyl-1,3-thiazolidine
CID 156041552
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-prop-2-enylthian-3-amine
CID 62872866
5-methyl-N-prop-2-enylthiolan-3-amine
CID 79942688
N-(thiolan-2-ylmethyl)but-3-en-1-amine
CID 80585401
N-(thiolan-2-ylmethyl)pent-4-en-1-amine
CID 80585548
N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80585580

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylsulfanylmethyl)pyrrolidine?
The IUPAC name of 2-(prop-2-enylsulfanylmethyl)pyrrolidine (CID 126976655) is 2-(prop-2-enylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 2-(prop-2-enylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 2-(prop-2-enylsulfanylmethyl)pyrrolidine is C=CCSCC1CCCN1.
What is the InChIKey of 2-(prop-2-enylsulfanylmethyl)pyrrolidine?
The InChIKey is IHDSZIPTWBTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2.
What are the key properties of 2-(prop-2-enylsulfanylmethyl)pyrrolidine?
2-(prop-2-enylsulfanylmethyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 126976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).