1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine

C14H20Cl2N2O2S — CID 119974717

IUPAC1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-10(17)12-2-4-18(5-3-12)21(19,20)9-11-6-13(15)8-14(16)7-11/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyJZKNKUMGBWTTLQ-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine

1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine (PubChem CID 119974717) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
PubChem CID119974717
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-10(17)12-2-4-18(5-3-12)21(19,20)9-11-6-13(15)8-14(16)7-11/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyJZKNKUMGBWTTLQ-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-[[(2-chlorophenyl)methyl]sulfonyl]-4-methyl-
CID 715211
1-[(4-Chlorobenzyl)sulfonyl]-3-methylpiperidine
CID 2974425
1-[(2-Chlorobenzyl)sulfonyl]-2-methylpiperidine
CID 2990591
1-[(2-Chlorobenzyl)sulfonyl]-2-ethylpiperidine
CID 2992383
1-(4-chlorophenyl)-N-((1-isopropylpiperidin-4-yl)methyl)methanesulfonamide
CID 16887590
1-(3-chlorophenyl)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)methanesulfonamide
CID 16887676
1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide
CID 16887758
1-(2-chlorophenyl)-N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 49686377
1-({1-[(3-Chlorophenyl)methanesulfonyl]piperidin-4-YL}methyl)azepane
CID 50848128
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 50848375
1-(5-chloro-2-fluorophenyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]methanesulfonamide
CID 97023569
N-[(1S)-1-cyclopropylethyl]-1-(3,5-dichlorophenyl)-N-methylmethanesulfonamide
CID 97788011

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine (CID 119974717) is 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The InChIKey is JZKNKUMGBWTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-10(17)12-2-4-18(5-3-12)21(19,20)9-11-6-13(15)8-14(16)7-11/h6-8,10,12H,2-5,9,17H2,1H3.
What are the key properties of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine has a molecular weight of 351.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 119974717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).