N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine

C11H24N2O2S — CID 64629745

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCCN1CCC(CNC(C)CS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-4-13-6-5-11(8-13)7-12-10(2)9-16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyNBPWBTXKQUXEHV-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.35
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64629745) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID64629745
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCCN1CCC(CNC(C)CS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-4-13-6-5-11(8-13)7-12-10(2)9-16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyNBPWBTXKQUXEHV-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 54927639
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine (CID 64629745) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine is CCN1CCC(CNC(C)CS(C)(=O)=O)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is NBPWBTXKQUXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-13-6-5-11(8-13)7-12-10(2)9-16(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).