8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O3S — CID 63763074

IUPAC8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cc1N
InChIInChI=1S/C15H22N2O3S/c1-2-10-3-6-14(9-15(10)16)21(19,20)17-11-4-5-12(17)8-13(18)7-11/h3,6,9,11-13,18H,2,4-5,7-8,16H2,1H3
InChIKeyISIGSEKHQXOGHF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.51
Rot. Bonds3

About 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763074) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763074
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cc1N
InChIInChI=1S/C15H22N2O3S/c1-2-10-3-6-14(9-15(10)16)21(19,20)17-11-4-5-12(17)8-13(18)7-11/h3,6,9,11-13,18H,2,4-5,7-8,16H2,1H3
InChIKeyISIGSEKHQXOGHF-UHFFFAOYSA-N
XLogP1.51
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.51
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

(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
(1R,5S)-8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764575
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
5-(1,3-dihydroisoindol-2-ylsulfonyl)-2-ethylaniline
CID 62205889
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762637
8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770383
1-(3-amino-4-ethylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213011
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63763074) is 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CCc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cc1N.
What is the InChIKey of 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ISIGSEKHQXOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-10-3-6-14(9-15(10)16)21(19,20)17-11-4-5-12(17)8-13(18)7-11/h3,6,9,11-13,18H,2,4-5,7-8,16H2,1H3.
What are the key properties of 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 310.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).