1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride

C10H21ClN2O2S — CID 119977797

IUPAC1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESC=CCCS(=O)(=O)N1CCC(CNC)C1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2;/h3,10-11H,1,4-9H2,2H3;1H
InChIKeyYEISNRIBRZPLGM-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.86
Rot. Bonds6

About 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride

1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 119977797) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID119977797
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESC=CCCS(=O)(=O)N1CCC(CNC)C1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2;/h3,10-11H,1,4-9H2,2H3;1H
InChIKeyYEISNRIBRZPLGM-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.86
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-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride (CID 119977797) is 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride is C=CCCS(=O)(=O)N1CCC(CNC)C1.Cl.
What is the InChIKey of 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is YEISNRIBRZPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2;/h3,10-11H,1,4-9H2,2H3;1H.
What are the key properties of 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride?
1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-enylsulfonylpyrrolidin-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119977797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).