1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine

C15H22Cl2N2O2S — CID 120775638

IUPAC1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1N
InChIInChI=1S/C15H22Cl2N2O2S/c1-15(2)10-19(6-5-14(15)18)7-8-22(20,21)13-9-11(16)3-4-12(13)17/h3-4,9,14H,5-8,10,18H2,1-2H3
InChIKeyHVXYNPZNNPIUEN-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine

1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775638) has the molecular formula C15H22Cl2N2O2S and a molecular weight of 365.33 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775638
Molecular FormulaC15H22Cl2N2O2S
Molecular Weight365.33 g/mol
Exact Mass364.08
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1N
InChIInChI=1S/C15H22Cl2N2O2S/c1-15(2)10-19(6-5-14(15)18)7-8-22(20,21)13-9-11(16)3-4-12(13)17/h3-4,9,14H,5-8,10,18H2,1-2H3
InChIKeyHVXYNPZNNPIUEN-UHFFFAOYSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
CID 8896966
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
CID 26674902
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
3-[1-[2-(2,5-dichlorophenyl)sulfonylethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 78818246
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 27197013
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine
CID 38124942
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863760
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 78898556
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 120774607
(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine
CID 9446271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine (CID 120775638) is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1N.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is HVXYNPZNNPIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2S/c1-15(2)10-19(6-5-14(15)18)7-8-22(20,21)13-9-11(16)3-4-12(13)17/h3-4,9,14H,5-8,10,18H2,1-2H3.
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine?
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 365.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).