1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C14H22ClN3O2S — CID 105167000

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-16-14(12-5-6-17-9-13(12)15)8-11-4-3-7-18(10-11)21(2,19)20/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyDZAUEVATSIHRQA-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.06
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105167000) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105167000
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-16-14(12-5-6-17-9-13(12)15)8-11-4-3-7-18(10-11)21(2,19)20/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyDZAUEVATSIHRQA-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011016
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105167000) is 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is DZAUEVATSIHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-16-14(12-5-6-17-9-13(12)15)8-11-4-3-7-18(10-11)21(2,19)20/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 331.87 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105167000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).