1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C16H27ClN2O2S — CID 119974927

IUPAC1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12(2)15-5-4-6-16(11-15)21(19,20)18-9-7-14(8-10-18)13(3)17;/h4-6,11-14H,7-10,17H2,1-3H3;1H
InChIKeyNBJJQZFEWLPXJQ-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.98
Rot. Bonds4

About 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974927) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974927
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12(2)15-5-4-6-16(11-15)21(19,20)18-9-7-14(8-10-18)13(3)17;/h4-6,11-14H,7-10,17H2,1-3H3;1H
InChIKeyNBJJQZFEWLPXJQ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119974672
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
1-[1-(3-fluoro-4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974631
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]ethanamine
CID 119974869
1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975104

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119974927) is 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CC(C)c1cccc(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl.
What is the InChIKey of 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is NBJJQZFEWLPXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-12(2)15-5-4-6-16(11-15)21(19,20)18-9-7-14(8-10-18)13(3)17;/h4-6,11-14H,7-10,17H2,1-3H3;1H.
What are the key properties of 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).