N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine

C11H24N2O2S — CID 106723274

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCC1CCN(C)C1
InChIInChI=1S/C11H24N2O2S/c1-3-7-16(14,15)8-5-12-9-11-4-6-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyRWFCZYGZIBNPEU-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.35
Rot. Bonds7

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine

N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine (PubChem CID 106723274) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
PubChem CID106723274
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCC1CCN(C)C1
InChIInChI=1S/C11H24N2O2S/c1-3-7-16(14,15)8-5-12-9-11-4-6-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyRWFCZYGZIBNPEU-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
CID 106724468
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(1-methylazetidin-3-yl)methyl]propan-1-amine
CID 131142144
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 63274278
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine (CID 106723274) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine is CCCS(=O)(=O)CCNCC1CCN(C)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine?
The InChIKey is RWFCZYGZIBNPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-7-16(14,15)8-5-12-9-11-4-6-13(2)10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine has a molecular weight of 248.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine is sourced from PubChem (CID 106723274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).