4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine

C8H16N2O2S — CID 103576259

IUPAC4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine
SMILESC=CCS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H16N2O2S/c1-3-4-13(11,12)10-5-7(2)8(9)6-10/h3,7-8H,1,4-6,9H2,2H3
InChIKeyBJZVFLDMIDPXSK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.22
Rot. Bonds3

About 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine

4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine (PubChem CID 103576259) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine
PubChem CID103576259
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine
SMILESC=CCS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H16N2O2S/c1-3-4-13(11,12)10-5-7(2)8(9)6-10/h3,7-8H,1,4-6,9H2,2H3
InChIKeyBJZVFLDMIDPXSK-UHFFFAOYSA-N
XLogP-0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine (CID 103576259) is 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine is C=CCS(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine?
The InChIKey is BJZVFLDMIDPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-4-13(11,12)10-5-7(2)8(9)6-10/h3,7-8H,1,4-6,9H2,2H3.
What are the key properties of 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine?
4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine has a molecular weight of 204.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 103576259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).