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

C11H25N3O2S — CID 63274278

IUPAC2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C11H25N3O2S/c1-4-12-6-8-17(15,16)14(3)10-11-5-7-13(2)9-11/h11-12H,4-10H2,1-3H3
InChIKeyHWEAIOMGCMISAY-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.19
Rot. Bonds7

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

2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide (PubChem CID 63274278) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
PubChem CID63274278
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C11H25N3O2S/c1-4-12-6-8-17(15,16)14(3)10-11-5-7-13(2)9-11/h11-12H,4-10H2,1-3H3
InChIKeyHWEAIOMGCMISAY-UHFFFAOYSA-N
XLogP-0.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.19
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

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]propanoic acid
CID 63275597
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723274
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684
2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
CID 54972051
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide (CID 63274278) is 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide is CCNCCS(=O)(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The InChIKey is HWEAIOMGCMISAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-4-12-6-8-17(15,16)14(3)10-11-5-7-13(2)9-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide?
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 63274278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).