2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine

C12H26N2O3S — CID 62591708

IUPAC2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-5-13-11-12-3-6-14(7-4-12)8-10-18(2,15)16/h12-13H,3-11H2,1-2H3
InChIKeyBNUHGVZKQMTKFB-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.02
Rot. Bonds8

About 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 62591708) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID62591708
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-5-13-11-12-3-6-14(7-4-12)8-10-18(2,15)16/h12-13H,3-11H2,1-2H3
InChIKeyBNUHGVZKQMTKFB-UHFFFAOYSA-N
XLogP-0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 55257781
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine (CID 62591708) is 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is BNUHGVZKQMTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-17-9-5-13-11-12-3-6-14(7-4-12)8-10-18(2,15)16/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of -0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62591708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).