(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine

C8H16N2O2S — CID 79673210

IUPAC(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-4-3-8(6-9)7-10/h2,8H,1,3-7,9H2
InChIKeyFKBSYLLTILYSSI-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.22
Rot. Bonds4

About (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine

(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 79673210) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID79673210
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-4-3-8(6-9)7-10/h2,8H,1,3-7,9H2
InChIKeyFKBSYLLTILYSSI-UHFFFAOYSA-N
XLogP-0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine (CID 79673210) is (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine is C=CCS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is FKBSYLLTILYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-4-3-8(6-9)7-10/h2,8H,1,3-7,9H2.
What are the key properties of (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 204.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79673210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).