methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane

C12H24N2S — CID 170209965

IUPACmethyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane
SMILESC=CCS(C)(N1CCCC1)N1CCCC1
InChIInChI=1S/C12H24N2S/c1-3-12-15(2,13-8-4-5-9-13)14-10-6-7-11-14/h3H,1,4-12H2,2H3
InChIKeyVSKVRAKIBCPPQF-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.63
Rot. Bonds4

About methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane

methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane (PubChem CID 170209965) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Namemethyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane
PubChem CID170209965
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Namemethyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane
SMILESC=CCS(C)(N1CCCC1)N1CCCC1
InChIInChI=1S/C12H24N2S/c1-3-12-15(2,13-8-4-5-9-13)14-10-6-7-11-14/h3H,1,4-12H2,2H3
InChIKeyVSKVRAKIBCPPQF-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane (CID 170209965) is methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane is C=CCS(C)(N1CCCC1)N1CCCC1.
What is the InChIKey of methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane?
The InChIKey is VSKVRAKIBCPPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-12-15(2,13-8-4-5-9-13)14-10-6-7-11-14/h3H,1,4-12H2,2H3.
What are the key properties of methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane?
methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane has a molecular weight of 228.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-prop-2-enyl-dipyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 170209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).