1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C17H29ClN2O2S — CID 119974866

IUPAC1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1C.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-11-10-12(2)14(4)17(13(11)3)22(20,21)19-8-6-16(7-9-19)15(5)18;/h10,15-16H,6-9,18H2,1-5H3;1H
InChIKeyRUKBCAWSMJFBKA-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.09
Rot. Bonds3

About 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974866) has the molecular formula C17H29ClN2O2S and a molecular weight of 360.95 g/mol. Its IUPAC name is 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974866
Molecular FormulaC17H29ClN2O2S
Molecular Weight360.95 g/mol
Exact Mass360.16
IUPAC Name1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1C.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-11-10-12(2)14(4)17(13(11)3)22(20,21)19-8-6-16(7-9-19)15(5)18;/h10,15-16H,6-9,18H2,1-5H3;1H
InChIKeyRUKBCAWSMJFBKA-UHFFFAOYSA-N
XLogP3.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709112
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(3-fluoro-4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974631

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119974866) is 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1C.Cl.
What is the InChIKey of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is RUKBCAWSMJFBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S.ClH/c1-11-10-12(2)14(4)17(13(11)3)22(20,21)19-8-6-16(7-9-19)15(5)18;/h10,15-16H,6-9,18H2,1-5H3;1H.
What are the key properties of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 360.95 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).