[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride

C13H19Cl3N2O2S — CID 119963921

IUPAC[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-12-2-1-3-13(15)11(12)9-20(18,19)17-6-4-10(8-16)5-7-17;/h1-3,10H,4-9,16H2;1H
InChIKeyHGJCEXXFKKSEEO-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.92
Rot. Bonds4

About [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride

[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963921) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119963921
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC Name[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-12-2-1-3-13(15)11(12)9-20(18,19)17-6-4-10(8-16)5-7-17;/h1-3,10H,4-9,16H2;1H
InChIKeyHGJCEXXFKKSEEO-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978430
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440
1-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]azepane
CID 50848099
[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963733
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 120999452
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43904545
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 30381596

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride (CID 119963921) is [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is HGJCEXXFKKSEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S.ClH/c14-12-2-1-3-13(15)11(12)9-20(18,19)17-6-4-10(8-16)5-7-17;/h1-3,10H,4-9,16H2;1H.
What are the key properties of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 373.73 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).