N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine

C11H24N2O2S — CID 63191177

IUPACN-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-3-12-10-11-6-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyLCQMCJFDPPVBQI-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds7

About N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 63191177) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID63191177
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-3-12-10-11-6-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyLCQMCJFDPPVBQI-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
CID 63191742
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474
2-(chloromethyl)-1-(3-methylsulfonylpropyl)piperidine
CID 63387072
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 106725781
1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 82896777
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine (CID 63191177) is N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1CCCS(C)(=O)=O.
What is the InChIKey of N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is LCQMCJFDPPVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-12-10-11-6-4-7-13(11)8-5-9-16(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 248.39 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63191177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).