1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol

C15H24N2O3S — CID 106835223

IUPAC1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C15H24N2O3S/c1-10-4-5-14(16)11(2)15(10)21(19,20)17-8-6-13(7-9-17)12(3)18/h4-5,12-13,18H,6-9,16H2,1-3H3
InChIKeyYETQAVHNCJHEFY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol

1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 106835223) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID106835223
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C15H24N2O3S/c1-10-4-5-14(16)11(2)15(10)21(19,20)17-8-6-13(7-9-17)12(3)18/h4-5,12-13,18H,6-9,16H2,1-3H3
InChIKeyYETQAVHNCJHEFY-UHFFFAOYSA-N
XLogP1.67
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227
2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43585004
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2,4-dimethylaniline
CID 65319389
3-(1,3-dihydroisoindol-2-ylsulfonyl)-2,4-dimethylaniline
CID 62204818
2,4-dimethyl-3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 61139574
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835153
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol (CID 106835223) is 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol is Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is YETQAVHNCJHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-4-5-14(16)11(2)15(10)21(19,20)17-8-6-13(7-9-17)12(3)18/h4-5,12-13,18H,6-9,16H2,1-3H3.
What are the key properties of 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 106835223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).