2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine

C12H26N2O3S — CID 84599871

IUPAC2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
SMILESCOCCS(=O)(=O)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C12H26N2O3S/c1-13(2)7-4-12-5-8-14(9-6-12)18(15,16)11-10-17-3/h12H,4-11H2,1-3H3
InChIKeyLIFJGEHPIDMBEI-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.63
Rot. Bonds7

About 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine

2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 84599871) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID84599871
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
SMILESCOCCS(=O)(=O)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C12H26N2O3S/c1-13(2)7-4-12-5-8-14(9-6-12)18(15,16)11-10-17-3/h12H,4-11H2,1-3H3
InChIKeyLIFJGEHPIDMBEI-UHFFFAOYSA-N
XLogP0.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756
4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine (CID 84599871) is 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine is COCCS(=O)(=O)N1CCC(CCN(C)C)CC1.
What is the InChIKey of 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is LIFJGEHPIDMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-13(2)7-4-12-5-8-14(9-6-12)18(15,16)11-10-17-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 278.42 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 84599871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).